ITGB7

Summary

ITGB7 (integrin subunit beta 7, HGNC:6162) is a protein-coding gene on chromosome 12q13.13, encoding Integrin beta-7 (P26010). Integrin ITGA4/ITGB7 (alpha-4/beta-7) (Peyer patches-specific homing receptor LPAM-1) is an adhesion molecule that mediates lymphocyte migration and homing to gut-associated lymphoid tissue (GALT).

This gene encodes a protein that is a member of the integrin superfamily. Members of this family are adhesion receptors that function in signaling from the extracellular matrix to the cell. Integrins are heterodimeric integral membrane proteins composed of an alpha chain and a beta chain. The encoded protein forms dimers with an alpha4 chain or an alphaE chain and plays a role in leukocyte adhesion. Dimerization with alpha4 forms a homing receptor for migration of lymphocytes to the intestinal mucosa and Peyer’s patches. Dimerization with alphaE permits binding to the ligand epithelial cadherin, a calcium-dependent adhesion molecule. Alternate splicing results in multiple transcript variants. Additional alternatively spliced transcript variants of this gene have been described, but their full-length nature is not known.

Source: NCBI Gene 3695 — RefSeq curated summary.

At a glance

• GWAS associations: 3
• Clinical variants (ClinVar): 135 total
• Druggable target: yes
• MANE Select transcript: NM_000889

Identifiers

Gene identifiers

Field	Value
HGNC ID	HGNC:6162
Approved symbol	ITGB7
Name	integrin subunit beta 7
Location	12q13.13
Locus type	gene with protein product
Status	Approved
Ensembl gene	ENSG00000139626
Ensembl biotype	protein_coding
OMIM	147559
Entrez	3695

Gene structure

Transcript identifiers

Ensembl transcripts: 20 — 13 protein_coding, 6 retained_intron, 1 nonsense_mediated_decay

ENST00000267082, ENST00000422257, ENST00000542497, ENST00000548269, ENST00000548706, ENST00000549086, ENST00000549196, ENST00000549462, ENST00000550743, ENST00000551319, ENST00000551887, ENST00000552935, ENST00000552972, ENST00000589179, ENST00000851175, ENST00000851176, ENST00000851177, ENST00000851178, ENST00000851179, ENST00000961741

RefSeq mRNA: 18 — MANE Select: NM_000889 NM_000889, NM_001414156, NM_001414157, NM_001414158, NM_001414159, NM_001414160, NM_001414161, NM_001414162, NM_001414163, NM_001414164, NM_001414165, NM_001414166, NM_001414167, NM_001414169, NM_001414170, NM_001414171, NM_001414172, NM_001414173

CCDS: CCDS8849

Canonical transcript exons

ENST00000267082 — 16 exons

Exon	Start	End
ENSE00000939245	53197493	53197663
ENSE00000939255	53193140	53193363
ENSE00000939257	53192691	53192910
ENSE00001354376	53201072	53201194
ENSE00002368229	53191323	53191636
ENSE00002402468	53207202	53207251
ENSE00002816929	53194198	53194344
ENSE00002899954	53195374	53195463
ENSE00002942862	53195626	53195721
ENSE00003524536	53197750	53197951
ENSE00003533931	53196579	53196820
ENSE00003549535	53192330	53192538
ENSE00003589741	53191859	53192019
ENSE00003591937	53196041	53196199
ENSE00003627284	53193708	53193901
ENSE00003661487	53200243	53200446

Expression profiles

Bgee: expression breadth ubiquitous, 208 present calls, max score 98.27.

FANTOM5 (CAGE): breadth broad, TPM avg 9.7692 / max 883.7695, expressed in 366 samples.

FANTOM5 promoters (4 alternative TSS)

Promoter ID	TPM avg	Samples expressed
131213	7.4396	320
131214	2.2196	236
206724	0.1019	39
131212	0.0081	5

Top tissues by expression

273 total, by Bgee expression score (0-100, higher = more expressed):

Tissue	Anatomy ID	Expression score	Quality
granulocyte	CL:0000094	98.27	gold quality
lymph node	UBERON:0000029	91.46	gold quality
bone marrow cell	CL:0002092	90.94	gold quality
blood	UBERON:0000178	90.80	gold quality
vena cava	UBERON:0004087	90.50	silver quality
spleen	UBERON:0002106	90.08	gold quality
lower esophagus mucosa	UBERON:0035834	89.68	gold quality
caecum	UBERON:0001153	87.21	gold quality
leukocyte	CL:0000738	87.20	gold quality
type B pancreatic cell	CL:0000169	86.98	gold quality
vermiform appendix	UBERON:0001154	86.98	gold quality
olfactory bulb	UBERON:0002264	86.63	gold quality
mononuclear cell	CL:0000842	86.31	gold quality
monocyte	CL:0000576	86.21	gold quality
skeletal muscle tissue of rectus abdominis	UBERON:0004511	86.20	gold quality
trachea	UBERON:0003126	84.95	silver quality
bone marrow	UBERON:0002371	84.88	gold quality
pharyngeal mucosa	UBERON:0000355	84.83	silver quality
primordial germ cell in gonad	CL:0000670 ∩ UBERON:0000991	84.68	gold quality
cardia of stomach	UBERON:0001162	84.66	silver quality
pylorus	UBERON:0001166	84.61	gold quality
tongue squamous epithelium	UBERON:0006919	84.14	silver quality
tongue	UBERON:0001723	83.71	silver quality
superior surface of tongue	UBERON:0007371	83.67	gold quality
triceps brachii	UBERON:0001509	83.05	gold quality
parotid gland	UBERON:0001831	82.68	silver quality
amniotic fluid	UBERON:0000173	82.33	gold quality
tonsil	UBERON:0002372	82.17	gold quality
small intestine Peyer’s patch	UBERON:0003454	81.71	gold quality
mucosa of transverse colon	UBERON:0004991	81.58	gold quality

Single-cell (SCXA)

Detected in 5 experiment(s), a significant marker in 5.

Experiment	Marker?	Max mean expression
E-CURD-88	yes	87.51
E-MTAB-8410	yes	33.29
E-CURD-122	yes	12.97
E-CURD-112	yes	9.71
E-ANND-3	yes	3.21

Regulation

Is transcription factor: no

Upstream regulators (CollecTRI, top): ESR1, KLF3, MAF

miRNA regulators (miRDB)

17 targeting ITGB7, top 30 by miRDB confidence (max_score; target_count = how many genes the miRNA targets in total — lower means more specific):

miRNA	Max score	Avg score	miRNA target_count
HSA-MIR-8087	99.90	69.55	1351
HSA-MIR-7162-3P	99.89	68.16	1682
HSA-MIR-6756-5P	99.82	67.97	2466
HSA-MIR-6766-5P	99.68	67.70	2325
HSA-MIR-4516	99.61	67.78	3390
HSA-MIR-146A-3P	99.13	68.99	1881
HSA-MIR-5701	98.97	69.54	1502
HSA-MIR-6784-3P	98.39	64.88	662
HSA-MIR-12126	98.09	64.82	637
HSA-MIR-4483	98.09	64.12	1642
HSA-MIR-6511B-5P	97.98	65.64	823
HSA-MIR-6811-5P	97.98	64.96	848
HSA-MIR-6862-3P	97.92	64.86	531
HSA-MIR-7111-3P	97.80	66.75	1467
HSA-MIR-4714-5P	97.04	67.76	955
HSA-MIR-3189-3P	96.80	66.34	896
HSA-MIR-10401-3P	91.66	66.01	97

Literature-anchored findings (GeneRIF, showing 40)

• T cell stimulation leads to incresed phosphorylation of integrin beta 7 and reveals threonine phosphorylation of beta 7. (PMID:12682249)
• bipolar metal ion cluster sites stabilize two alternative phases of adhesion (PMID:14608374)
• metal ion binding sites in the I-like domain and the interface with the hybrid domain are important for rolling and firm adhesion by integrin alpha4beta7 (PMID:15448154)
• In a chronic ileitis model, pathogenic CD4+ T cells use the integrin beta 7/MAdCAM-1 pathway in order to recirculate to the chronically inflamed small intestine. (PMID:15699171)
• analyzed the rotavirus-specific VH and VL repertoire in IgD- B cells expressing the intestinal homing marker alpha4beta7 (PMID:15749880)
• Integrin activation marker CD103 (alphaEbeta7) is expressed on Epstein-Barr virus-specific tonsil-resident (but not peripheral blood mononuclear leukocyte-derived) cytotoxic T lymphocytes. (PMID:16177076)
• Beta7 integrin is a major galectin-1-glycosylated counterreceptor involved in immune developmental synapse formation. (PMID:16818733)
• quasi-palindromic sequence YDRREY within the beta7 cytoplasmic tail constitutes a cell adhesion regulatory domain that modulates the interaction of beta7-expressing leukocytes with their endothelial and epithelial ligands (PMID:16874740)
• Cadherin-E interaction with integrin alphaEbeta7 causes antitumor cytotoxic response by CD8+/CD103+ tumor-reactive T lymphocytes. (PMID:17325197)
• Taken together, these data establish beta7 ITG as a new molecular target of PAHs, whose up-regulation by these environmental contaminants most likely requires activation of co-operative pathways involving both AhR and c-maf. (PMID:17490615)
• analysis of the migfilin-filamin interaction and competition with integrin beta 7 tails (PMID:18829455)
• Mechanical force applied to filamin can expose cryptic integrin binding sites. (PMID:19699211)
• The specific affinity of gp120 for alpha(4)beta(7) provides a mechanism for HIV-1 to target activated cells that are critical for efficient virus propagation and dissemination following sexual transmission. (PMID:19933330)
• The proportion of all B cells expressing alpha4beta7 was highest in early infancy. Nearly all naive B cells in all age groups expressed alpha4beta7, whereas the expression on class-switched B cells decreased with age. (PMID:21075690)
• Findings suggest that the inactive alpha4beta7 and alpha4beta7 activated by different stimuli have distinct conformations with different structural requirements for MAdCAM-1 binding. (PMID:21296888)
• The entry of recently activated CD4-expressing T cells into the bone marrow can occur in a transgenic beta1- and beta7-integrin-independent manner following Listeria monocytogenes infection. (PMID:21357540)
• Data show that integrin beta7 and CCR6 identify four distinct stages of memory CD4+ T cell differentiation. (PMID:21398606)
• findings indicate that alpha4beta7*IgG can be used as a probe for functional MAdCAM-1 expressed on HEVs in GALT and could potentially serve as an anti-inflammatory drug inhibiting GALT-specific lymphocyte migration (PMID:21430257)
• a role for integrin-beta7 in MM-cell adhesion, migration, and BM homing, and pave the way for a novel therapeutic approach targeting this molecule. (PMID:21474670)
• Consistent with structural predictions, strain increases beta-integrin binding to FLNA, whereas it causes FilGAP to dissociate from FLNA, providing a direct and specific molecular basis for cellular mechanotransduction (PMID:21926999)
• Data suggest that monoclonal antibody J19 is a potentially powerful tool for both studies on alpha(4)beta(7) activation mechanism and development of novel therapeutics targeting the activated lymphocyte expressing high affinity alpha(4)beta(7). (PMID:22418441)
• Integrin alpha4beta7 binds gp120 but does not mediate HIV envelope-induced death signaling. (PMID:22822002)
• analysis of the molecular basis for alpha4beta7-mediated rolling cell adhesion and a novel regulatory element of integrin affinity and signaling (PMID:23553626)
• Two conserved disulfide bonds located at integrin alpha4C589-C594 and beta7C494-C526 activated alpha4beta7. (PMID:23986478)
• Data indicate that signaling by HIV-1 gp120 through integrin alpha4beta7 resulted in increased expression of the immunosuppressive cytokine TGF-beta1 and FcRL4. (PMID:24162774)
• Only rotavirus specific CD4 T cells expressed intestinal homing receptors alpha4beta7 and CCR9. (PMID:24606696)
• Disruption of the hydrophobic contacts induces the active conformation of integrin alpha 4 beta 7. (PMID:24802248)
• circulating trisomy 12 CLL cells also have increased expression of the integrins CD11b, CD18, CD29, and ITGB7, and the adhesion molecule CD323. (PMID:24829201)
• HIV-1 virions and many gp120s lack detectable alpha4beta7 binding activity. (PMID:25008916)
• Collectively, these data suggest a role for alpha4beta7 integrin in HIV infection that is influenced by both viral and host factors including the sequence of the HIV gp120 alpha4beta7 binding motif, the cytokine milieu and bacterial vaginosis in the genital tract. (PMID:26105197)
• gut-homing alpha4beta7 CD4(+) T cells and their functional subsets were profoundly depleted during acute HIV-1 infection. (PMID:26277899)
• CCR9 and Integrin-beta7 expression has a differential effect on graft fate during acute graft-versus-host disease (GVHD) of the liver depending on the GVHD target tissue. (PMID:26348893)
• AEbeta7 is of key relevance for gut trafficking of inflammatory bowel disease (IBD) CD8(+) T cells and CD4(+) Th9 cells in vivo and mainly retention might account for this effect. These findings indicate that blockade of alphaEbeta7 in addition to alpha4beta7 may be particularly effective in intestinal disorders with expansion of CD8(+) and Th9 cells such as IBD. (PMID:27543429)
• Increased frequencies of pre-HIV alpha4beta7(+) CD4(+) T cells were also associated with higher postinfection expression of lipopolysaccharide binding protein, a microbial translocation marker, suggestive of more extensive gut damage. (PMID:29367348)
• Transmission of integrin beta7 transmembrane domain topology enables gut lymphoid tissue development. (PMID:29535192)
• Abnormal Peyer patch development and B-cell gut homing drive IgA deficiency in Kabuki syndrome. (PMID:31816409)
• Racial differences in alpha4beta7 expression on CD4+ T cells of HIV-negative men and women who inject drugs. (PMID:32841266)
• The association of alpha4beta7 expression with HIV acquisition and disease progression in people who inject drugs and men who have sex with men: Case control studies. (PMID:33166790)
• The V2 loop of HIV gp120 delivers costimulatory signals to CD4(+) T cells through Integrin alpha4beta7 and promotes cellular activation and infection. (PMID:33288704)
• Expression of activated integrin beta7 in multiple myeloma patients. (PMID:33999338)

Cross-species orthologs

5 orthologs

Organism	Symbol	Gene ID
danio_rerio	itgb7	ENSDARG00000044318
mus_musculus	Itgb7	ENSMUSG00000001281
rattus_norvegicus	Itgb7	ENSRNOG00000012208
drosophila_melanogaster	mys	FBGN0004657
caenorhabditis_elegans		WBGENE00003930

Paralogs (8): ITGB5 (ENSG00000082781), ITGB8 (ENSG00000105855), ITGB6 (ENSG00000115221), ITGB4 (ENSG00000132470), ITGB1 (ENSG00000150093), ITGB2 (ENSG00000160255), ITGBL1 (ENSG00000198542), ITGB3 (ENSG00000259207)

Protein

Protein identifiers

Integrin beta-7 — P26010 (reviewed: P26010)

Alternative names: Gut homing receptor beta subunit

All UniProt accessions (6): P26010, F5H6T4, F8VNX4, F8W186, H3BRM2, H3BRX4

UniProt curated annotations — full annotation on UniProt →

Function. Integrin ITGA4/ITGB7 (alpha-4/beta-7) (Peyer patches-specific homing receptor LPAM-1) is an adhesion molecule that mediates lymphocyte migration and homing to gut-associated lymphoid tissue (GALT). Integrin ITGA4/ITGB7 interacts with the cell surface adhesion molecules MADCAM1 which is normally expressed by the vascular endothelium of the gastrointestinal tract. Also interacts with VCAM1 and fibronectin, an extracellular matrix component. It recognizes one or more domains within the alternatively spliced CS-1 region of fibronectin. Interactions involve the tripeptide L-D-T in MADCAM1, and L-D-V in fibronectin. Integrin ITGAE/ITGB7 (alpha-E/beta-7, HML-1) is a receptor for E-cadherin. (Microbial infection) Binds to HIV-1 gp120, thereby allowing the virus to enter GALT, which is thought to be the major trigger of AIDS disease. Interaction would involve a tripeptide L-D-I in HIV-1 gp120.

Subunit / interactions. Heterodimer of an alpha and a beta subunit. ITGB7/beta-7 associates with either ITGA4/alpha-4 or ITGAE/alpha-E. In the absence of the E-cadherin ligand, the ITGAE/ITGB7 (alpha-E/beta-7) heterodimer shows an overall half-bent conformation, an intermediate between closed and open conformations, with the alpha-I domain of ITGAE/alpha-E, which is responsible for ligand binding, covering the headpiece domain. Integrin ITGA4/ITGB7 interacts with MADCAM1. Integrin ITGA4/ITGB7 interacts with VCAM1 and fibronectin. Interacts with FLNA (via filamin repeats 4, 9, 12, 17, 19, 21, and 23). (Microbial infection) May interact with HIV-1 gp120.

Subcellular location. Cell membrane.

Tissue specificity. Expressed in a variety of leukocyte lines.

Domain organisation. The VWFA domain (or beta I domain) contains three cation-binding sites: the ligand-associated metal ion-binding site (LIMBS or SyMBS), the metal ion-dependent adhesion site (MIDAS), and the adjacent MIDAS site (ADMIDAS). This domain is also part of the ligand-binding site. The MIDAS site is required for both rolling and adhesion. The ADMIDAS site is required for rolling and mediates the negative regulatory effects of higher Ca(2+) concentration on ligand binding. The LIMBS site is required for adhesion and mediates the positive regulatory effects of low Ca(2+) concentrations on ligand binding.

Induction. Induced by TGFB1.

Similarity. Belongs to the integrin beta chain family.

Isoforms (2)

UniProt ID	Names	Canonical?
P26010-1	Long	yes
P26010-2	Short

RefSeq proteins (18): NP_000880, NP_001401085, NP_001401086, NP_001401087, NP_001401088, NP_001401089, NP_001401090, NP_001401091, NP_001401092, NP_001401093, NP_001401094, NP_001401095, NP_001401096, NP_001401098, NP_001401099, NP_001401100, NP_001401101, NP_001401102 (=MANE)

Domains & families (InterPro)

ID	Name	Type
IPR002369	Integrin_bsu_VWA	Domain
IPR012896	Integrin_bsu_tail	Domain
IPR013111	EGF_extracell	Domain
IPR014836	Integrin_bsu_cyt_dom	Domain
IPR015812	Integrin_bsu	Family
IPR016201	PSI	Domain
IPR032695	Integrin_dom_sf	Homologous_superfamily
IPR033760	Integrin_beta_N	Domain
IPR036349	Integrin_bsu_tail_dom_sf	Homologous_superfamily
IPR036465	vWFA_dom_sf	Homologous_superfamily
IPR057243	Integrin_I-EGF_CS	Conserved_site

Pfam: PF00362, PF07974, PF08725, PF17205

UniProt features (115 total): strand 27, disulfide bond 27, helix 16, binding site 13, glycosylation site 8, turn 7, domain 6, topological domain 2, signal peptide 1, chain 1, region of interest 1, modified residue 1, transmembrane region 1, splice variant 1, sequence variant 1, mutagenesis site 1, sequence conflict 1

Structure

Experimental structures (PDB)

9 structures.

PDB	Method	Resolution (Å)
2BRQ	X-RAY DIFFRACTION	2.1
8ZJF	ELECTRON MICROSCOPY	2.7
9P97	ELECTRON MICROSCOPY	2.92
9P98	ELECTRON MICROSCOPY	2.93
9P95	ELECTRON MICROSCOPY	3.05
3V4V	X-RAY DIFFRACTION	3.1
9P96	ELECTRON MICROSCOPY	3.1
3V4P	X-RAY DIFFRACTION	3.15
9P99	ELECTRON MICROSCOPY	3.37

Predicted structure (AlphaFold)

Model	pLDDT	Fraction very-high
AF-P26010-F1	83.18	0.42

Antibody-complex structures (SAbDab): 4 — 3V4P, 3V4V, 9P97, 9P98

Functional residue map

Curated UniProt residues grouped by drug-discovery relevance — catalytic, ligand-binding, modification, and mutation-validated positions. Source: UniProtKB sequence features.

Ligand- & substrate-binding residues (13): 161 (in midas binding site); 163 (in admidas binding site); 163 (in midas binding site); 166 (in admidas binding site); 167 (in admidas binding site); 198 (in limbs binding site); 254 (in limbs binding site); 256 (in limbs binding site); 258 (in limbs binding site); 259 (in limbs binding site); 259 (in midas binding site); 289 (in admidas binding site and liganded-open conformation) …

Post-translational modifications (1): 778

Disulfide bonds (27): 45–61, 51–476, 54–80, 64–91, 216–223, 271–311, 412–428, 448–474, 478–497, 488–500, 502–511, 513–545, 527–543, 537–548, 550–559, 561–582, 566–580, 574–585, 587–596, 598–621 …

Glycosylation sites (8): 68, 279, 434, 477, 531, 590, 665, 674

Mutagenesis-validated functional residues (1):

Position	Phenotype
159	loss of integrin alpha-e/beta-7 binding to e-cadherin and of integrin alpha-4/beta-7 binding to madcam1.

Function

Pathways and Gene Ontology

Reactome pathways

5 pathways

ID	Pathway
R-HSA-198933	Immunoregulatory interactions between a Lymphoid and a non-Lymphoid cell
R-HSA-216083	Integrin cell surface interactions
R-HSA-1280218	Adaptive Immune System
R-HSA-1474244	Extracellular matrix organization
R-HSA-168256	Immune System

MSigDB gene sets: 368 (showing top): REACTOME_ADAPTIVE_IMMUNE_SYSTEM, ZHAN_MULTIPLE_MYELOMA_MF_UP, ENK_UV_RESPONSE_KERATINOCYTE_UP, MODULE_45, MODULE_64, GOCC_CELL_SURFACE, RACCACAR_AML_Q6, GGGTGGRR_PAX4_03, GOBP_AMEBOIDAL_TYPE_CELL_MIGRATION, GOBP_CELL_CELL_ADHESION, GOBP_CELLULAR_EXTRAVASATION, IRF7_01, GOBP_LEUKOCYTE_MIGRATION, AML_Q6, HUI_MAPK14_TARGETS_UP

GO Biological Process (14): immune response in gut-associated lymphoid tissue (GO:0002387), cell-matrix adhesion involved in ameboidal cell migration (GO:0003366), cell adhesion (GO:0007155), cell-matrix adhesion (GO:0007160), integrin-mediated signaling pathway (GO:0007229), cell adhesion mediated by integrin (GO:0033627), heterotypic cell-cell adhesion (GO:0034113), substrate adhesion-dependent cell spreading (GO:0034446), receptor clustering (GO:0043113), leukocyte migration (GO:0050900), leukocyte tethering or rolling (GO:0050901), T cell migration (GO:0072678), cell-cell adhesion (GO:0098609), symbiont entry into host cell (GO:0046718)

GO Molecular Function (5): virus receptor activity (GO:0001618), integrin binding (GO:0005178), metal ion binding (GO:0046872), cell adhesion molecule binding (GO:0050839), protein binding (GO:0005515)

GO Cellular Component (9): plasma membrane (GO:0005886), focal adhesion (GO:0005925), integrin complex (GO:0008305), cell surface (GO:0009986), membrane (GO:0016020), integrin alpha4-beta7 complex (GO:0034669), integrin alphaE-beta7 complex (GO:0034691), signaling receptor complex (GO:0043235), extracellular exosome (GO:0070062)

Reactome top-level categories

Rollup of top-3 pathways:

Category	Pathways
Adaptive Immune System	1
Extracellular matrix organization	1
Immune System	1

GO top-level categories

Rollup of top GO terms by namespace:

Category	Terms
cell-substrate adhesion	2
cell adhesion	2
cellular anatomical structure	2
integrin complex	2
immune response	1
ameboidal-type cell migration	1
cell-matrix adhesion	1
cellular process	1
cell surface receptor signaling pathway	1
cell-cell adhesion	1
plasma membrane	1
protein localization to membrane	1
immune system process	1
cell migration	1
cellular extravasation	1
leukocyte adhesion to vascular endothelial cell	1
lymphocyte migration	1
viral life cycle	1
symbiont entry into host	1
symbiont entry into host cell	1
exogenous protein binding	1
signaling receptor binding	1
protein-containing complex binding	1
cell adhesion molecule binding	1
cation binding	1
protein binding	1
binding	1
membrane	1
cell periphery	1
cell-substrate junction	1
protein complex involved in cell adhesion	1
plasma membrane signaling receptor complex	1
protein-containing complex	1
extracellular vesicle	1

Protein interactions and networks

STRING

2040 interactions, top by confidence (×1000):

Protein A	Protein B	Partner UniProt	Score
ITGB7	ITGAE	P38570	996
ITGB7	ITGA4	P13612	996
ITGB7	MADCAM1	Q13477	942
ITGB7	ITGA5	P08648	874
ITGB7	FN1	P02751	811
ITGB7	EED	O75530	759
ITGB7	VCAM1	P19320	752
ITGB7	CCR9	P51686	746
ITGB7	ITGA9	Q13797	697
ITGB7	CD4	P01730	683
ITGB7	CCL25	O15444	658
ITGB7	ITGAL	P20701	648
ITGB7	FLNA	P21333	644
ITGB7	CDH1	P12830	616
ITGB7	ITGA10	O75578	600

IntAct

42 interactions, top by confidence:

A	B	Type	Score
ITGA4	ITGB7	psi-mi:“MI:0407”(direct interaction)	0.740
ITGA4	ITGB7	psi-mi:“MI:0915”(physical association)	0.740
FLNA	ITGB7	psi-mi:“MI:0915”(physical association)	0.740
FLNA	ITGB7	psi-mi:“MI:0407”(direct interaction)	0.740
ITGB7	FLNA	psi-mi:“MI:0407”(direct interaction)	0.740
Dok1	ITGB7	psi-mi:“MI:0407”(direct interaction)	0.540
Dok1	ITGB7	psi-mi:“MI:0915”(physical association)	0.540
PPP2R5A	AXIN1	psi-mi:“MI:0914”(association)	0.530
Shc1	ITGB7	psi-mi:“MI:0407”(direct interaction)	0.440
RABGAP1	ITGB7	psi-mi:“MI:0407”(direct interaction)	0.440
ITGB7	ANKS1B	psi-mi:“MI:0407”(direct interaction)	0.440
ITGB7	GULP1	psi-mi:“MI:0407”(direct interaction)	0.440
ITGB7	Numb	psi-mi:“MI:0407”(direct interaction)	0.440
ITGB7	Dab1	psi-mi:“MI:0407”(direct interaction)	0.440
ITGB7	Dab2	psi-mi:“MI:0407”(direct interaction)	0.440
Apba1	ITGB7	psi-mi:“MI:0407”(direct interaction)	0.440
ITGB7	Apba2	psi-mi:“MI:0407”(direct interaction)	0.440
Tln1	ITGB7	psi-mi:“MI:0407”(direct interaction)	0.440
TNS2	ITGB7	psi-mi:“MI:0407”(direct interaction)	0.440
	ITGA4	psi-mi:“MI:0407”(direct interaction)	0.360

BioGRID (34): ITGB7 (Reconstituted Complex), ITGB7 (Reconstituted Complex), LCK (Negative Genetic), ITGB7 (Negative Genetic), OXT (Negative Genetic), MAP2K7 (Negative Genetic), ITGB7 (Negative Genetic), PTPRE (Negative Genetic), ITGB7 (Affinity Capture-MS), EED (Two-hybrid), ITGB7 (Reconstituted Complex), ITGB7 (Affinity Capture-Western), ITGB7 (Reconstituted Complex), CANX (Affinity Capture-MS), MANEA (Affinity Capture-MS)

ESM2 similar proteins: A0A8M9PFP2, A2A863, A5Z1X6, B0FYY4, B2RXS4, O13146, O15031, O73875, P05107, P05556, P07228, P09055, P09958, P11584, P11835, P12606, P12607, P16144, P18563, P18564, P23188, P23229, P23377, P26007, P26010, P26011, P29317, P32592, P49134, P53712, P53713, P53714, P97278, Q13753, Q1KL86, Q1RPR6, Q27874, Q28193, Q29052, Q2VJ42

Diamond homologs: A2A863, A5Z1X6, B0FYY4, O08680, O54890, O70309, P05106, P05107, P05556, P07228, P09055, P11584, P11835, P12606, P12607, P16144, P18084, P18563, P18564, P26010, P26011, P26012, P29319, P29320, P32592, P49134, P53712, P53713, P53714, P80747, Q07409, Q07441, Q09062, Q0VBD0, Q1RPR6, Q27591, Q27874, Q2VJ42, Q3UH53, Q3UV74

SIGNOR signaling

9 interactions.

A	Effect	B	Mechanism
ITGB1BP1	“down-regulates activity”	ITGB7	binding
DOK1	“down-regulates activity”	ITGB7	binding
ITGB7	“up-regulates activity”	PTK2
Kindlin	“up-regulates activity”	ITGB7	binding
PRKCB	unknown	ITGB7	phosphorylation
PRKCD	unknown	ITGB7	phosphorylation
TLN1	“up-regulates activity”	ITGB7	binding
ITGB7	“form complex”	“AE/b7 integrin”	binding
ITGB7	“form complex”	“A4/b7 integrin”	binding

Disease & clinical

Clinical variants and AI predictions

ClinVar

135 variants total. Per-class counts are floors (≥ shown; pagination cap):

Classification	Count (floor)
Pathogenic	0
Likely pathogenic	0
Uncertain significance	102
Likely benign	9
Benign	4

Top pathogenic / likely-pathogenic (0)

SpliceAI

2752 predictions. Top by Δscore:

Variant	Effect	Δscore
12:53191854:CTCA:C	donor_loss	1.0000
12:53191856:CA:C	donor_loss	1.0000
12:53191857:A:AG	donor_loss	1.0000
12:53191858:C:CT	donor_loss	1.0000
12:53192015:TCCCT:T	acceptor_gain	1.0000
12:53192016:CCCT:C	acceptor_gain	1.0000
12:53192016:CCCTC:C	acceptor_gain	1.0000
12:53192017:CCTC:C	acceptor_gain	1.0000
12:53192018:CT:C	acceptor_gain	1.0000
12:53192020:C:CC	acceptor_gain	1.0000
12:53192020:CTGT:C	acceptor_loss	1.0000
12:53192021:T:C	acceptor_loss	1.0000
12:53192327:TA:T	donor_loss	1.0000
12:53192328:A:AC	donor_gain	1.0000
12:53192328:ACTTT:A	donor_gain	1.0000
12:53192329:C:CT	donor_gain	1.0000
12:53192329:CT:C	donor_gain	1.0000
12:53192329:CTT:C	donor_gain	1.0000
12:53192329:CTTT:C	donor_gain	1.0000
12:53192329:CTTTC:C	donor_gain	1.0000
12:53192332:T:A	donor_gain	1.0000
12:53192344:A:AC	donor_gain	1.0000
12:53192345:C:CC	donor_gain	1.0000
12:53192345:CT:C	donor_gain	1.0000
12:53192355:G:GT	donor_gain	1.0000
12:53192436:C:CT	acceptor_gain	1.0000
12:53192437:A:T	acceptor_gain	1.0000
12:53193141:T:TA	donor_gain	1.0000
12:53193359:CACAG:C	acceptor_gain	1.0000
12:53193361:CAG:C	acceptor_gain	1.0000

AlphaMissense

5191 scored. Top likely-pathogenic:

Variant	Protein change	am_pathogenicity
12:53196139:G:C	H293D	0.999
12:53196185:C:A	W277C	0.999
12:53196185:C:G	W277C	0.999
12:53196124:C:A	G298W	0.998
12:53196583:C:G	C271S	0.998
12:53196584:A:T	C271S	0.998
12:53196633:A:C	N254K	0.998
12:53196633:A:T	N254K	0.998
12:53196798:T:A	K199N	0.998
12:53196798:T:G	K199N	0.998
12:53196799:T:A	K199I	0.998
12:53196807:A:C	F196L	0.998
12:53196807:A:T	F196L	0.998
12:53196809:A:G	F196L	0.998
12:53196816:A:C	F193L	0.998
12:53196816:A:T	F193L	0.998
12:53196818:A:G	F193L	0.998
12:53197584:G:C	S161R	0.998
12:53197584:G:T	S161R	0.998
12:53197585:C:A	S161I	0.998
12:53197586:T:G	S161R	0.998
12:53200255:C:A	W63C	0.998
12:53200255:C:G	W63C	0.998
12:53196187:A:G	W277R	0.997
12:53196187:A:T	W277R	0.997
12:53196670:A:C	F242C	0.997
12:53196783:A:C	F204L	0.997
12:53196783:A:T	F204L	0.997
12:53196785:A:G	F204L	0.997
12:53197575:C:A	M164I	0.997

dbSNP variants (sampled 300 via entrez): RS1000171571 (12:53207104 C>G,T), RS1000596895 (12:53196917 G>A,C,T), RS1001132570 (12:53203439 G>A), RS1001444508 (12:53190984 C>T), RS1001868050 (12:53198361 A>G), RS1001998372 (12:53204972 G>A), RS1002070371 (12:53204578 G>T), RS1002299057 (12:53198152 C>T), RS1002378927 (12:53192269 C>G,T), RS1002572442 (12:53208722 A>C,G), RS1002687118 (12:53207752 C>G,T), RS1002718163 (12:53207567 C>T), RS1002806411 (12:53201851 T>C), RS1002922324 (12:53202281 C>G,T), RS1003023614 (12:53194637 A>G)

Disease associations

OMIM: gene MIM:147559 | disease phenotypes:

GenCC curated gene-disease

Mondo (0):

Orphanet (0):

HPO phenotypes

0 total (0 of 0 shown, HPO-id order):

GWAS associations

3 associations (top):

Study	Trait	p-value
GCST001762_263	Obesity-related traits	2.000000e-06
GCST90013445_6	Type 1 diabetes	3.000000e-09
GCST90013445_66	Type 1 diabetes	3.000000e-09

EFO canonical traits (1, from GWAS)

EFO ID	Trait name
EFO:0005000	leptin measurement

Drugs & pharmacology

Drug and pharmacology data

Is drug target: yes

ChEMBL targets (3): CHEMBL2095184 (PROTEIN COMPLEX), CHEMBL2979 (SINGLE PROTEIN), CHEMBL5465395 (PROTEIN COMPLEX)

PharmGKB: 1 entry (VIP=true, CPIC=false)

GtoPdb / IUPHAR curated pharmacology

(IUPHAR/BPS Guide to Pharmacology — expert-curated)

Target class: catalytic receptor — Integrins

Binding affinities (BindingDB)

907 measured of 1542 human assays (1543 total across all organisms); most potent 50 below. Values come from heterogeneous assays and are not directly comparable.

Ligand	Measure	Value	Patent
(2S)-2-[[2-chloro-6-fluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)quinolin-5-yl]propanoic acid	EC50	0.048 nM	US-11116760: Quinoline derivatives
(2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)quinolin-5-yl]propanoic acid	EC50	0.049 nM	US-11116760: Quinoline derivatives
(2S)-2-[[2-fluoro-6-methyl-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)quinolin-5-yl]propanoic acid	EC50	0.049 nM	US-11116760: Quinoline derivatives
(2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)quinolin-5-yl]propanoic acid	EC50	0.05 nM	US-11116760: Quinoline derivatives
(2S)-3-[8-(2,4-dimethyl-5,7-dioxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)quinolin-5-yl]-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]propanoic acid	EC50	0.054 nM	US-11116760: Quinoline derivatives
(2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxo-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-3-yl)quinolin-5-yl]propanoic acid	EC50	0.06 nM	US-11116760: Quinoline derivatives
(2S)-3-[7-fluoro-8-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)quinolin-5-yl]-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]propanoic acid	EC50	0.076 nM	US-11116760: Quinoline derivatives
(2S)-3-[8-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)quinolin-5-yl]-2-[[2,3,6-trifluoro-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzoyl]amino]propanoic acid	EC50	0.076 nM	US-11116760: Quinoline derivatives
(2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopyrimido[4,5-d]pyrimidin-3-yl)quinolin-5-yl]propanoic acid	EC50	0.08 nM	US-11116760: Quinoline derivatives
(2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(7-fluoro-1-methyl-2,4-dioxoquinazolin-3-yl)quinolin-5-yl]propanoic acid	EC50	0.08 nM	US-11116760: Quinoline derivatives
(2S)-3-[8-[1,2-dimethyl-6-oxo-4-(trifluoromethyl)pyrimidin-5-yl]quinolin-5-yl]-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]propanoic acid	EC50	0.09 nM	US-11116760: Quinoline derivatives
(2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxo-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-3-yl)quinolin-5-yl]propanoic acid	EC50	0.091 nM	US-11116760: Quinoline derivatives
(2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(7-methoxy-1-methyl-2,4-dioxopyrido[3,2-d]pyrimidin-3-yl)quinolin-5-yl]propanoic acid	EC50	0.091 nM	US-11116760: Quinoline derivatives
(2S)-3-[8-(4-chloro-1,6-dimethyl-2-oxo-3-pyridinyl)quinolin-5-yl]-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]propanoic acid	EC50	0.092 nM	US-11116760: Quinoline derivatives
(2S)-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]quinolin-5-yl]-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]propanoic acid	EC50	0.093 nM	US-11116760: Quinoline derivatives
(2S)-3-[8-(7-fluoro-1-methyl-2,4-dioxoquinazolin-3-yl)quinolin-5-yl]-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]propanoic acid	EC50	0.094 nM	US-11116760: Quinoline derivatives
(2S)-3-[3-fluoro-8-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)quinolin-5-yl]-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]propanoic acid	EC50	0.096 nM	US-11116760: Quinoline derivatives
(2S)-2-[[2,6-difluoro-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzoyl]amino]-3-[8-[1-methyl-2-oxo-4-(trifluoromethyl)-1,7-naphthyridin-3-yl]quinolin-5-yl]propanoic acid	EC50	0.1 nM	US-11116760: Quinoline derivatives
(2S)-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]quinolin-5-yl]-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]propanoic acid	EC50	0.1 nM	US-11116760: Quinoline derivatives
(2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopyrido[3,2-d]pyrimidin-3-yl)quinolin-5-yl]propanoic acid	EC50	0.1 nM	US-11116760: Quinoline derivatives
(2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopyrido[4,3-d]pyrimidin-3-yl)quinolin-5-yl]propanoic acid	EC50	0.1 nM	US-11116760: Quinoline derivatives
(2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)quinolin-5-yl]propanoic acid	EC50	0.1 nM	US-11116760: Quinoline derivatives
(2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopteridin-3-yl)quinolin-5-yl]propanoic acid	EC50	0.1 nM	US-11116760: Quinoline derivatives
(2S)-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]quinolin-5-yl]-2-[[2-fluoro-6-(trideuteriomethyl)-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]propanoic acid	EC50	0.102 nM	US-11116760: Quinoline derivatives
(2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopyrido[4,3-d]pyrimidin-3-yl)quinolin-5-yl]propanoic acid	EC50	0.103 nM	US-11116760: Quinoline derivatives
(2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)quinolin-5-yl]propanoic acid	EC50	0.103 nM	US-11116760: Quinoline derivatives
(2S)-3-[8-(6-fluoro-7-imidazol-1-yl-1-methyl-2,4-dioxoquinazolin-3-yl)quinolin-5-yl]-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]propanoic acid	EC50	0.104 nM	US-11116760: Quinoline derivatives
(2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)quinolin-5-yl]propanoic acid	EC50	0.11 nM	US-11116760: Quinoline derivatives
(2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)quinolin-5-yl]propanoic acid	EC50	0.112 nM	US-11116760: Quinoline derivatives
(2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)quinolin-5-yl]propanoic acid	EC50	0.115 nM	US-11116760: Quinoline derivatives
(2S)-3-[8-(6-fluoro-1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)quinolin-5-yl]-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]propanoic acid	EC50	0.116 nM	US-11116760: Quinoline derivatives
(2S)-3-[8-(1-ethyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)quinolin-5-yl]-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]propanoic acid	EC50	0.117 nM	US-11116760: Quinoline derivatives
(2S)-3-[8-[6-(dimethylamino)-1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl]quinolin-5-yl]-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]propanoic acid	EC50	0.126 nM	US-11116760: Quinoline derivatives
(2S)-3-[7-fluoro-8-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)quinolin-5-yl]-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]propanoic acid	EC50	0.13 nM	US-11116760: Quinoline derivatives
(2S)-2-[[2-chloro-6-fluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)quinolin-5-yl]propanoic acid	EC50	0.14 nM	US-11116760: Quinoline derivatives
(2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(4-methyl-3-oxoquinoxalin-2-yl)quinolin-5-yl]propanoic acid	EC50	0.143 nM	US-11116760: Quinoline derivatives
(2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1,6-dimethyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)quinolin-5-yl]propanoic acid	EC50	0.15 nM	US-11116760: Quinoline derivatives
(2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1,2,4-trimethyl-6-oxopyrimidin-5-yl)quinolin-5-yl]propanoic acid	EC50	0.15 nM	US-11116760: Quinoline derivatives
(2S)-2-[[2,6-difluoro-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)quinolin-5-yl]propanoic acid	EC50	0.157 nM	US-11116760: Quinoline derivatives
(2S)-3-[8-(1,6-dimethyl-2-oxo-3-pyridinyl)quinolin-5-yl]-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]propanoic acid	EC50	0.161 nM	US-11116760: Quinoline derivatives
(2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)quinolin-5-yl]propanoic acid	EC50	0.162 nM	US-11116760: Quinoline derivatives
(2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(6-methoxy-1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)quinolin-5-yl]propanoic acid	EC50	0.162 nM	US-11116760: Quinoline derivatives
(2S)-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]quinolin-5-yl]-2-[[2-ethyl-6-fluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]propanoic acid	EC50	0.179 nM	US-11116760: Quinoline derivatives
(2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(6-methoxy-1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)quinolin-5-yl]propanoic acid	EC50	0.18 nM	US-11116760: Quinoline derivatives
(2S)-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]quinolin-5-yl]-2-[[2-fluoro-6-propan-2-yl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]propanoic acid	EC50	0.181 nM	US-11116760: Quinoline derivatives
(2S)-3-[8-(1,6-dimethyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)quinolin-5-yl]-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]propanoic acid	EC50	0.185 nM	US-11116760: Quinoline derivatives
(2S)-2-[[2,6-difluoro-4-[(2S,3R)-2-methyl-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]quinolin-5-yl]propanoic acid	EC50	0.189 nM	US-11116760: Quinoline derivatives
(2S)-3-[8-(2,4-dioxo-1H-pyrido[3,4-d]pyrimidin-3-yl)quinolin-5-yl]-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]propanoic acid	EC50	0.191 nM	US-11116760: Quinoline derivatives
(2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopyrido[4,3-d]pyrimidin-3-yl)quinolin-5-yl]propanoic acid	EC50	0.196 nM	US-11116760: Quinoline derivatives
(2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]quinolin-5-yl]propanoic acid	EC50	0.2 nM	US-11116760: Quinoline derivatives

ChEMBL bioactivities

432 potent at pChembl≥5 of 449 total, top 50 by pChembl (potency: 10 = 0.1 nM, 6 = 1 µM).

pChembl	Type	Value	Unit	Molecule
9.57	IC50	0.27	nM	CHEMBL5877352
9.48	IC50	0.33	nM	CHEMBL5946056
9.34	IC50	0.46	nM	CHEMBL5904923
9.21	IC50	0.61	nM	CHEMBL6035989
9.19	IC50	0.64	nM	CHEMBL6035989
9.12	IC50	0.75	nM	CHEMBL91485
9.05	IC50	0.89	nM	CHEMBL5998447
9.01	IC50	0.98	nM	CHEMBL5779177
8.91	IC50	1.23	nM	CHEMBL5842689
8.85	EC50	1.4	nM	CHEMBL4592659
8.81	IC50	1.53	nM	CHEMBL6030719
8.79	IC50	1.64	nM	CHEMBL5943501
8.72	IC50	1.92	nM	CHEMBL44204
8.70	IC50	2	nM	CHEMBL379839
8.70	IC50	2	nM	CHEMBL377389
8.70	IC50	2	nM	CHEMBL208644
8.70	IC50	2	nM	CHEMBL380217
8.70	IC50	2	nM	CHEMBL258255
8.68	IC50	2.1	nM	CHEMBL282637
8.66	IC50	2.19	nM	CHEMBL5748816
8.66	IC50	2.2	nM	CHEMBL74437
8.61	IC50	2.45	nM	CHEMBL5991707
8.60	IC50	2.5	nM	CHEMBL69035
8.58	IC50	2.64	nM	CHEMBL5775950
8.55	IC50	2.8	nM	CHEMBL5847249
8.55	IC50	2.83	nM	CHEMBL288474
8.53	IC50	2.98	nM	CHEMBL56511
8.52	IC50	3	nM	CHEMBL2408066
8.52	IC50	3	nM	CHEMBL208950
8.52	IC50	3	nM	CHEMBL207432
8.52	IC50	3	nM	CHEMBL207864
8.52	IC50	3	nM	CHEMBL273183
8.49	IC50	3.2	nM	CHEMBL306739
8.49	IC50	3.2	nM	CHEMBL355536
8.46	IC50	3.51	nM	CHEMBL43213
8.46	IC50	3.5	nM	CHEMBL307096
8.40	IC50	4	nM	CHEMBL2408062
8.40	IC50	4	nM	CHEMBL409728
8.40	IC50	4	nM	CHEMBL353244
8.39	IC50	4.1	nM	CHEMBL74958
8.37	IC50	4.3	nM	CHEMBL77586
8.36	IC50	4.4	nM	CHEMBL43858
8.33	IC50	4.67	nM	CHEMBL5958758
8.30	IC50	5	nM	CHEMBL272966
8.30	IC50	5	nM	CHEMBL305408
8.30	IC50	5	nM	CHEMBL355240
8.30	IC50	5	nM	CHEMBL424584
8.30	IC50	5	nM	CHEMBL171139
8.28	IC50	5.26	nM	CHEMBL44357
8.28	IC50	5.2	nM	CHEMBL352778

PubChem BioAssay actives

488 with measured affinity, of 702 total; 50 most potent distinct compounds. Largely complementary to BindingDB; screening values are coarse (µM, 4 dp), so sub-nM hits tie at the floor.

Compound	Assay	Type	Value	Unit
(2S)-3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]-2-[[(3S)-2-(3-hydroxypropanoyl)-2-azabicyclo[2.2.2]octane-3-carbonyl]amino]propanoic acid	1797563: Ramos Cell Adhesion Assay (alpha4beta1 Mediated Adhesion/VCAM-1) from Article 10.1016/j.bmc.2005.07.022: “Aza-bicyclic amino acid carboxamides as alpha4beta1/alpha4beta7 integrin receptor antagonists.”	ic50	0.0006	uM
(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-(2,6-dimethoxyphenyl)phenyl]propanoic acid	220265: Inhibition of [125I]MAdCAM-Ig binding to alpha4-beta7 integrin of human RPMI-8866 cells	ic50	0.0008	uM
(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[6-(dimethylamino)-1-methyl-2,4-dioxoquinazolin-3-yl]phenyl]propanoic acid	1634175: Antagonist activity at integrin alpha4beta7 expressed in human RPMI8866 cells assessed as reduction in cell adhesion to rat MadCAM incubated for 40 to 60 mins by lactate dehydrogenase assay	ec50	0.0014	uM
(2S)-2-[[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-[4-(pyrrolidine-1-carbonyloxy)phenyl]propanoic acid	220135: Alpha4-beta7 integrin binding affinity was determined in duplicate by a radioligand binding assay using [125I]-VCAM-Ig and a suspension of RPMI-8866 cells (a human B cell line alpha-4-beta-1-beta-7+)	ic50	0.0019	uM
(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-methyl-5-(4-methylsulfonylphenyl)-3-oxopyridazin-4-yl]phenyl]propanoic acid	318157: Inhibition of human integrin alpha-4-beta-7-mediated K562 cell adhesion to immobilized MAdCAM1	ic50	0.0020	uM
(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-(2-hydroxyethyl)-5-methoxy-3-oxopyridazin-4-yl]phenyl]propanoic acid	1797561: Ramos Cell Adhesion Assay (alpha4beta1 Mediated Adhesion/VCAM-1) from Article 10.1021/jm060031q: “Synthesis and biological evaluation of novel pyridazinone-based alpha4 integrin receptor antagonists.”	ic50	0.0020	uM
(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[5-methoxy-2-(2-morpholin-4-ylethyl)-3-oxopyridazin-4-yl]phenyl]propanoic acid	1797561: Ramos Cell Adhesion Assay (alpha4beta1 Mediated Adhesion/VCAM-1) from Article 10.1021/jm060031q: “Synthesis and biological evaluation of novel pyridazinone-based alpha4 integrin receptor antagonists.”	ic50	0.0020	uM
(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[5-(2-hydroxyethoxy)-2-methyl-3-oxopyridazin-4-yl]phenyl]propanoic acid	1797561: Ramos Cell Adhesion Assay (alpha4beta1 Mediated Adhesion/VCAM-1) from Article 10.1021/jm060031q: “Synthesis and biological evaluation of novel pyridazinone-based alpha4 integrin receptor antagonists.”	ic50	0.0020	uM
(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-(5-ethoxy-2-methyl-3-oxopyridazin-4-yl)phenyl]propanoic acid	1797561: Ramos Cell Adhesion Assay (alpha4beta1 Mediated Adhesion/VCAM-1) from Article 10.1021/jm060031q: “Synthesis and biological evaluation of novel pyridazinone-based alpha4 integrin receptor antagonists.”	ic50	0.0020	uM
(2S)-2-[[(4S)-3-acetyl-1,3-thiazolidine-4-carbonyl]amino]-3-[4-(2-methoxyphenyl)phenyl]propanoic acid	220268: Inhibition of integrin alpha4-beta7 of human RPMI-8866 cells	ic50	0.0021	uM
(2S)-2-[[[(2S)-1-(benzenesulfonyl)azetidin-2-yl]-(methanesulfonamido)methylidene]amino]-3-[4-(2,6-dimethoxyphenyl)phenyl]propanoic acid	220278: Inhibitory activity of compound against alpha4-beta7 integrin using MAdCAM-Ig ligand	ic50	0.0022	uM
2-[[1-(benzenesulfonyl)pyrrolidine-2-carbonyl]amino]-3-[4-(2,6-dimethoxyphenyl)phenyl]propanoic acid	35405: Inhibition of [125I]MAdCAM-Ig binding to human integrin alpha4-beta7 of RPMI-8866 cells	ic50	0.0025	uM
(2S)-2-[[(2S)-1-(benzenesulfonyl)pyrrolidine-2-carbonyl]amino]-3-[4-(pyrrolidine-1-carbonyloxy)phenyl]propanoic acid	220135: Alpha4-beta7 integrin binding affinity was determined in duplicate by a radioligand binding assay using [125I]-VCAM-Ig and a suspension of RPMI-8866 cells (a human B cell line alpha-4-beta-1-beta-7+)	ic50	0.0028	uM
(2S)-2-[[(2S)-1-(3,5-dichlorophenyl)sulfonyl-2-methylpyrrolidine-2-carbonyl]amino]-3-[4-(2,6-dimethoxyphenyl)phenyl]propanoic acid	220266: Inhibition of [125I]VCAM-Ig binding to alpha4-beta7 integrin of human RPMI-8866 cells	ic50	0.0030	uM
(2S)-3-[4-[5-(4-carbamoylphenyl)-2-methyl-3-oxopyridazin-4-yl]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid	318157: Inhibition of human integrin alpha-4-beta-7-mediated K562 cell adhesion to immobilized MAdCAM1	ic50	0.0030	uM
(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-(2-methyl-5-morpholin-4-yl-3-oxopyridazin-4-yl)phenyl]propanoic acid	1797561: Ramos Cell Adhesion Assay (alpha4beta1 Mediated Adhesion/VCAM-1) from Article 10.1021/jm060031q: “Synthesis and biological evaluation of novel pyridazinone-based alpha4 integrin receptor antagonists.”	ic50	0.0030	uM
(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-(5-methoxy-2-methyl-3-oxopyridazin-4-yl)phenyl]propanoic acid	1797561: Ramos Cell Adhesion Assay (alpha4beta1 Mediated Adhesion/VCAM-1) from Article 10.1021/jm060031q: “Synthesis and biological evaluation of novel pyridazinone-based alpha4 integrin receptor antagonists.”	ic50	0.0030	uM
(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-methyl-5-(2-morpholin-4-ylethoxy)-3-oxopyridazin-4-yl]phenyl]propanoic acid	1797561: Ramos Cell Adhesion Assay (alpha4beta1 Mediated Adhesion/VCAM-1) from Article 10.1021/jm060031q: “Synthesis and biological evaluation of novel pyridazinone-based alpha4 integrin receptor antagonists.”	ic50	0.0030	uM
(2S)-2-[[2-(diethylamino)-5-[ethyl(morpholine-4-carbonyl)amino]pyrimidin-4-yl]amino]-3-[4-(pyrrolidine-1-carbonyloxy)phenyl]propanoic acid	761422: Inhibition of alpha4beta7 integrin-mediated human 8866 cell adhesion to MadCAM-1	ic50	0.0030	uM
(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]propanoic acid	220277: Inhibition of Mn2+ activated state of alpha4-beta7 integrin	ic50	0.0032	uM
(2S)-2-[[1-(benzenesulfonyl)cyclobutanecarbonyl]amino]-3-[4-(2,6-dimethoxyphenyl)phenyl]propanoic acid	218413: Binding affinity towards VLA-4 (alpha4 beta7) receptor in human RPMI-8866 B-cell line using [125I]MAdCAM-Ig as radioligand	ic50	0.0032	uM
(2S)-2-[[(2S)-1-(3,5-dichlorophenyl)sulfonyl-2-methylpyrrolidine-2-carbonyl]amino]-3-[4-(morpholine-4-carbonyloxy)phenyl]propanoic acid	220135: Alpha4-beta7 integrin binding affinity was determined in duplicate by a radioligand binding assay using [125I]-VCAM-Ig and a suspension of RPMI-8866 cells (a human B cell line alpha-4-beta-1-beta-7+)	ic50	0.0035	uM
(2S)-2-[[(2S)-1-(2-cyanophenyl)pyrrolidine-2-carbonyl]amino]-3-[4-(2,6-dimethoxyphenyl)phenyl]propanoic acid	35405: Inhibition of [125I]MAdCAM-Ig binding to human integrin alpha4-beta7 of RPMI-8866 cells	ic50	0.0035	uM
(2S)-2-[(2-chloro-4-methylsulfonylbenzoyl)amino]-3-[4-(5-methoxy-2-methyl-3-oxopyridazin-4-yl)phenyl]propanoic acid	318157: Inhibition of human integrin alpha-4-beta-7-mediated K562 cell adhesion to immobilized MAdCAM1	ic50	0.0040	uM
(2S)-2-[[2-(diethylamino)-5-[ethyl(pyridine-2-carbonyl)amino]pyrimidin-4-yl]amino]-3-[4-(pyrrolidine-1-carbonyloxy)phenyl]propanoic acid	761422: Inhibition of alpha4beta7 integrin-mediated human 8866 cell adhesion to MadCAM-1	ic50	0.0040	uM
(2S)-3-[4-(2-methoxyphenyl)phenyl]-2-[[1-(1-methylimidazol-2-yl)sulfonylcyclopentanecarbonyl]amino]propanoic acid	216051: Inhibition of [125I]-VCAM-Ig binding to human integrin alpha4-beta7 receptor in RPMI-8866 cells	ic50	0.0040	uM
(2S)-2-[[[(2S)-1-(benzenesulfonyl)azetidin-2-yl]-(cyanoamino)methylidene]amino]-3-[4-(2,6-dimethoxyphenyl)phenyl]propanoic acid	220278: Inhibitory activity of compound against alpha4-beta7 integrin using MAdCAM-Ig ligand	ic50	0.0041	uM
(2S)-3-[2-(2,6-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-[(3,5-dichloropyridine-4-carbonyl)amino]propanoic acid	220277: Inhibition of Mn2+ activated state of alpha4-beta7 integrin	ic50	0.0043	uM
(2S)-2-[[(2S)-1-methylsulfonylpyrrolidine-2-carbonyl]amino]-3-[4-(pyrrolidine-1-carbonyloxy)phenyl]propanoic acid	220135: Alpha4-beta7 integrin binding affinity was determined in duplicate by a radioligand binding assay using [125I]-VCAM-Ig and a suspension of RPMI-8866 cells (a human B cell line alpha-4-beta-1-beta-7+)	ic50	0.0044	uM
(2S)-3-[4-[5-(1,3-benzodioxol-5-yl)-2-methyl-3-oxopyridazin-4-yl]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid	318157: Inhibition of human integrin alpha-4-beta-7-mediated K562 cell adhesion to immobilized MAdCAM1	ic50	0.0050	uM
2-[[1-(benzenesulfonyl)cyclopentanecarbonyl]amino]-3-[4-(2,6-dimethoxyphenyl)phenyl]propanoic acid	35405: Inhibition of [125I]MAdCAM-Ig binding to human integrin alpha4-beta7 of RPMI-8866 cells	ic50	0.0050	uM
(2S)-2-[[1-(benzenesulfonyl)cyclopentanecarbonyl]amino]-3-[4-(2,6-dimethoxyphenyl)phenyl]propanoic acid	218413: Binding affinity towards VLA-4 (alpha4 beta7) receptor in human RPMI-8866 B-cell line using [125I]MAdCAM-Ig as radioligand	ic50	0.0050	uM
(2S)-2-[[4-(benzenesulfonyl)thiane-4-carbonyl]amino]-3-[4-(2,6-dimethoxyphenyl)phenyl]propanoic acid	218413: Binding affinity towards VLA-4 (alpha4 beta7) receptor in human RPMI-8866 B-cell line using [125I]MAdCAM-Ig as radioligand	ic50	0.0050	uM
(2S)-3-[4-(2,6-dimethoxyphenyl)phenyl]-2-[[1-(4-fluorophenyl)sulfonylcyclopentanecarbonyl]amino]propanoic acid	218413: Binding affinity towards VLA-4 (alpha4 beta7) receptor in human RPMI-8866 B-cell line using [125I]MAdCAM-Ig as radioligand	ic50	0.0050	uM
(2S)-2-[[3-(benzenesulfonyl)oxolane-3-carbonyl]amino]-3-[4-(2,6-dimethoxyphenyl)phenyl]propanoic acid	218413: Binding affinity towards VLA-4 (alpha4 beta7) receptor in human RPMI-8866 B-cell line using [125I]MAdCAM-Ig as radioligand	ic50	0.0052	uM
(2S)-2-[[(2S)-1-(3,5-dichlorophenyl)sulfonyl-2-methylpyrrolidine-2-carbonyl]amino]-3-[4-(pyrrolidine-1-carbonyloxy)phenyl]propanoic acid	220135: Alpha4-beta7 integrin binding affinity was determined in duplicate by a radioligand binding assay using [125I]-VCAM-Ig and a suspension of RPMI-8866 cells (a human B cell line alpha-4-beta-1-beta-7+)	ic50	0.0053	uM
(2S)-3-[4-(2,6-dimethoxyphenyl)phenyl]-2-[[(2S)-1-pyridin-3-ylpyrrolidine-2-carbonyl]amino]propanoic acid	35405: Inhibition of [125I]MAdCAM-Ig binding to human integrin alpha4-beta7 of RPMI-8866 cells	ic50	0.0055	uM
(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[2-(2,6-dichlorophenyl)-1,3-benzoxazol-5-yl]propanoic acid	220277: Inhibition of Mn2+ activated state of alpha4-beta7 integrin	ic50	0.0055	uM
(2S)-3-[4-(2,6-dimethoxyphenyl)phenyl]-2-[[(2S)-1-(3-methoxyphenyl)pyrrolidine-2-carbonyl]amino]propanoic acid	35405: Inhibition of [125I]MAdCAM-Ig binding to human integrin alpha4-beta7 of RPMI-8866 cells	ic50	0.0058	uM
(2S)-2-[[2-(diethylamino)-5-[diethylcarbamoyl(ethyl)amino]pyrimidin-4-yl]amino]-3-[4-(pyrrolidine-1-carbonyloxy)phenyl]propanoic acid	761422: Inhibition of alpha4beta7 integrin-mediated human 8866 cell adhesion to MadCAM-1	ic50	0.0060	uM
(2S)-3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]-2-[[(3S)-2-(2-pyridin-4-ylsulfanylacetyl)-2-azabicyclo[2.2.2]octane-3-carbonyl]amino]propanoic acid	1797563: Ramos Cell Adhesion Assay (alpha4beta1 Mediated Adhesion/VCAM-1) from Article 10.1016/j.bmc.2005.07.022: “Aza-bicyclic amino acid carboxamides as alpha4beta1/alpha4beta7 integrin receptor antagonists.”	ic50	0.0060	uM
(2S)-3-[4-(2,6-dimethoxyphenyl)phenyl]-2-[[(2S)-2-propan-2-yloxolane-2-carbonyl]amino]propanoic acid	220275: Inhibition of alpha4-beta7 antigen with MAdCAM immunoglobulin	ic50	0.0061	uM
(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-methyl-5-(2-methylimidazol-1-yl)-3-oxopyridazin-4-yl]phenyl]propanoic acid	318157: Inhibition of human integrin alpha-4-beta-7-mediated K562 cell adhesion to immobilized MAdCAM1	ic50	0.0070	uM
(2S)-3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]-2-[[(3S)-2-(3-phenylpropanoyl)-2-azabicyclo[2.2.2]octane-3-carbonyl]amino]propanoic acid	1797563: Ramos Cell Adhesion Assay (alpha4beta1 Mediated Adhesion/VCAM-1) from Article 10.1016/j.bmc.2005.07.022: “Aza-bicyclic amino acid carboxamides as alpha4beta1/alpha4beta7 integrin receptor antagonists.”	ic50	0.0070	uM
(2S)-3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]-2-[[(3S)-2-[3-(4-methoxyphenyl)propanoyl]-2-azabicyclo[2.2.2]octane-3-carbonyl]amino]propanoic acid	1797563: Ramos Cell Adhesion Assay (alpha4beta1 Mediated Adhesion/VCAM-1) from Article 10.1016/j.bmc.2005.07.022: “Aza-bicyclic amino acid carboxamides as alpha4beta1/alpha4beta7 integrin receptor antagonists.”	ic50	0.0070	uM
(2S)-3-[4-(2,6-dimethoxyphenyl)phenyl]-2-[[(2R)-2-methyloxolane-2-carbonyl]amino]propanoic acid	220275: Inhibition of alpha4-beta7 antigen with MAdCAM immunoglobulin	ic50	0.0071	uM
(2S)-3-[4-(2,6-dimethoxyphenyl)phenyl]-2-[[(2S)-2-(3-methoxypropyl)oxolane-2-carbonyl]amino]propanoic acid	220275: Inhibition of alpha4-beta7 antigen with MAdCAM immunoglobulin	ic50	0.0078	uM
(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[5-(difluoromethoxy)-2-methyl-3-oxopyridazin-4-yl]phenyl]propanoic acid	1797561: Ramos Cell Adhesion Assay (alpha4beta1 Mediated Adhesion/VCAM-1) from Article 10.1021/jm060031q: “Synthesis and biological evaluation of novel pyridazinone-based alpha4 integrin receptor antagonists.”	ic50	0.0080	uM
(2S)-3-[4-(2-methoxyphenyl)phenyl]-2-[[(2R)-2-(morpholine-4-carbonyl)oxolane-2-carbonyl]amino]propanoic acid	220275: Inhibition of alpha4-beta7 antigen with MAdCAM immunoglobulin	ic50	0.0085	uM
(2S)-3-[4-(2-methoxyphenyl)phenyl]-2-[[(4S)-3-methylsulfonyl-1,3-thiazolidine-4-carbonyl]amino]propanoic acid	220268: Inhibition of integrin alpha4-beta7 of human RPMI-8866 cells	ic50	0.0089	uM

CTD chemical–gene interactions

35 total (human), top 30 by PubMed support.

Chemical	Actions (top 5)	PubMed papers
Tretinoin	increases expression	3
tamibarotene	increases expression	2
Benzo(a)pyrene	affects methylation, increases expression, increases methylation	2
Nickel	increases expression	2
Tetrachlorodibenzodioxin	decreases reaction, increases expression	2
aristolochic acid I	increases expression	1
GSK-J4	decreases expression	1
urushiol	increases expression	1
triphenyl phosphate	affects expression	1
beta-lapachone	increases expression	1
sulforaphane	increases expression	1
tris(1,3-dichloro-2-propyl)phosphate	decreases expression	1
perfluorooctanoic acid	decreases expression	1
di-n-butylphosphoric acid	affects expression	1
KN 93	decreases reaction, increases expression	1
perfluorooctane sulfonic acid	decreases expression	1
CGP 52608	affects binding, increases reaction	1
perfluoro-n-nonanoic acid	decreases expression	1
STO 609	increases expression	1
perfluorohexanesulfonic acid	decreases expression	1
(+)-JQ1 compound	decreases expression	1
Arsenic Trioxide	increases expression	1
Fulvestrant	increases methylation	1
Air Pollutants	increases abundance, increases expression	1
Cisplatin	increases expression	1
Diethylstilbestrol	increases expression	1
Formaldehyde	decreases expression	1
Methyl Methanesulfonate	decreases expression	1
Ozone	increases expression	1
Tobacco Smoke Pollution	increases expression	1

ChEMBL screening assays

60 unique, capped per target: 56 binding, 4 functional

Representative assays (with source publication via chembl_document):

Assay ID	Type	Description	Source paper
CHEMBL1046711	Binding	Inhibition of MAdCAM1 binding to integrin alpha4beta7 receptor in human RPMI8866 cells at 16 uM by cell/protein binding assay	Discovery of trans-4-[1-[[2,5-Dichloro-4-(1-methyl-3-indolylcarboxamido)phenyl]acetyl]-(4S)-methoxy-(2S)-pyrrolidinylmethoxy]cyclohexanecarboxylic acid: an orally active, selective very late antigen-4 antagonist. — J Med Chem
CHEMBL643891	Functional	Inhibition of alpha-4 beta7/MAdCAM mediated cell adhesion was evaluated using B-cell lymphoma RPMI 8866 cells	Cell adhesion antagonists: synthesis and evaluation of a novel series of phenylalanine based inhibitors. — Bioorg Med Chem Lett

Clinical trials (associated diseases)

0 trials via MONDO — disease-level, not drug-specific.