AMY2A

Summary

AMY2A (amylase alpha 2A, HGNC:477) is a protein-coding gene on chromosome 1p21.1, encoding Pancreatic alpha-amylase (P04746). It is a selective cancer dependency (DepMap: 19.2% of cell lines).

This gene encodes a member of the alpha-amylase family of proteins. Amylases are secreted proteins that hydrolyze 1,4-alpha-glucoside bonds in oligosaccharides and polysaccharides, catalyzing the first step in digestion of dietary starch and glycogen. This gene and several family members are present in a gene cluster on chromosome 1. This gene encodes an amylase isoenzyme produced by the pancreas.

Source: NCBI Gene 279 — RefSeq curated summary.

At a glance

• Clinical variants (ClinVar): 77 total
• Druggable target: yes — 1 molecules with ChEMBL bioactivity
• Cancer dependency (DepMap): dependent in 19.2% of screened cell lines
• MANE Select transcript: NM_000699

Identifiers

Gene identifiers

Field	Value
HGNC ID	HGNC:477
Approved symbol	AMY2A
Name	amylase alpha 2A
Location	1p21.1
Locus type	gene with protein product
Status	Approved
Ensembl gene	ENSG00000243480
Ensembl biotype	protein_coding
OMIM	104650
Entrez	279

Gene structure

Transcript identifiers

Ensembl transcripts: 4 — 2 protein_coding, 2 protein_coding_CDS_not_defined

ENST00000414303, ENST00000423678, ENST00000497748, ENST00000682202

RefSeq mRNA: 1 — MANE Select: NM_000699 NM_000699

CCDS: CCDS783

Canonical transcript exons

ENST00000414303 — 10 exons

Exon	Start	End
ENSE00001624498	103618911	103619108
ENSE00001644282	103619554	103619784
ENSE00001673584	103620551	103620684
ENSE00001751530	103617427	103617608
ENSE00001766615	103617954	103618100
ENSE00001799435	103621577	103621699
ENSE00001817780	103625557	103625780
ENSE00003570681	103621794	103621893
ENSE00003689222	103623866	103623984
ENSE00003692313	103624096	103624221

Expression profiles

Bgee: expression breadth ubiquitous, 125 present calls, max score 99.76.

FANTOM5 (CAGE): breadth tissue_specific, TPM avg 0.0585 / max 95.5829, expressed in 3 samples.

FANTOM5 promoters (2 alternative TSS)

Promoter ID	TPM avg	Samples expressed
4302	0.0389	3
4303	0.0196	3

Top tissues by expression

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

Tissue	Anatomy ID	Expression score	Quality
body of pancreas	UBERON:0001150	99.76	gold quality
pancreas	UBERON:0001264	98.13	gold quality
islet of Langerhans	UBERON:0000006	94.91	gold quality
duodenum	UBERON:0002114	88.64	gold quality
male germ line stem cell (sensu Vertebrata) in testis	CL:0000089 ∩ UBERON:0000473	84.77	gold quality
nucleus accumbens	UBERON:0001882	77.30	gold quality
fundus of stomach	UBERON:0001160	75.53	gold quality
ectocervix	UBERON:0012249	75.24	gold quality
putamen	UBERON:0001874	73.86	gold quality
caudate nucleus	UBERON:0001873	72.48	gold quality
right lobe of liver	UBERON:0001114	72.20	gold quality
right frontal lobe	UBERON:0002810	72.04	gold quality
Ammon’s horn	UBERON:0001954	71.76	gold quality
right coronary artery	UBERON:0001625	70.64	gold quality
endocervix	UBERON:0000458	69.38	gold quality
placenta	UBERON:0001987	69.15	gold quality
anterior cingulate cortex	UBERON:0009835	69.13	gold quality
left adrenal gland cortex	UBERON:0035825	68.53	gold quality
lower esophagus mucosa	UBERON:0035834	68.42	gold quality
left uterine tube	UBERON:0001303	68.31	gold quality
Brodmann (1909) area 9	UBERON:0013540	68.22	gold quality
descending thoracic aorta	UBERON:0002345	68.02	gold quality
metanephros cortex	UBERON:0010533	67.77	gold quality
dorsolateral prefrontal cortex	UBERON:0009834	67.68	gold quality
left adrenal gland	UBERON:0001234	67.67	gold quality
right adrenal gland	UBERON:0001233	67.63	gold quality
temporal lobe	UBERON:0001871	66.96	gold quality
amygdala	UBERON:0001876	66.94	gold quality
right hemisphere of cerebellum	UBERON:0014890	65.93	gold quality
spleen	UBERON:0002106	65.79	gold quality

Single-cell (SCXA)

Detected in 2 experiment(s), a significant marker in 2.

Experiment	Marker?	Max mean expression
E-GEOD-81547	yes	26.45
E-ANND-3	no	0.00

Regulation

Is transcription factor: no

Upstream regulators (CollecTRI, top): AP1, AR, ESR1, GLI3, MSC, MYB, NFKB, SSRP1, TFAP2A, ZBTB22

Functional genomics

DepMap (CRISPR cell-line fitness): dependent in 19.2% of screened cell lines.

Literature-anchored findings (GeneRIF, showing 13)

• a single endogenous copy of mir-279 can fully rescue viability, olfactory neuron, and circadian rhythm defects of mir-996/mir-279 double deletion animals. (PMID:26042831)
• The efficacy of endogenous mir-279/996 in restricting RTK/Ras signaling is substantial enough that deletion of these miRNAs can rescue a population of R7 photoreceptors in the absence of the Boss ligand or the Sev receptor. (PMID:29540498)
• A new approach for the discovery and subsequent structural elucidation of oligosaccharide-based inhibitors of alpha-amylases based upon autoglucosylation of known alpha-glucosidase inhibitors is presented. (PMID:15304511)
• Autoantibody against amylase alpha-2A is a novel diagnostic marker for both autoimmune pancreatitis and fulminant type 1 diabetes. (PMID:19001184)
• We demonstrated that AMY2A is frequently silenced in gastric carcinoma deletion 1p21.1. (PMID:20428766)
• Studies indicate that chloride activates alpha-amylases and ACE, and gaining insight into the potential mechanisms by which chloride functions in PSII. (PMID:21366335)
• Mammalian pancreatic alpha-amylases share a common carbohydrate binding activity and specifically bind to the intestinal brush border. (PMID:22584580)
• Data show that amylase-alpha2A autoantibodies may help to diagnosis of autoimmune pancreatitis (AIP) and to differentiate AIP subtypes. (PMID:26335011)
• Data show that serum amylase was found to be correlated with waist circumference, ghrelin and PYY3-36. (PMID:26495778)
• It was concluded that the genetic variant determining starch metabolism influences the response to weight-loss dietary intervention. Overweight and obese individuals carrying the AMY1-AMY2 rs11185098 genotype associated with higher amylase activity may have greater loss of adiposity during low-calorie diet interventions. (PMID:28659346)
• Association of AMY1A/AMY2A copy numbers and AMY1/AMY2 serum enzymatic activity with obesity in Mexican children. (PMID:32314532)
• In silico assessment of potential leads identified from Bauhinia rufescens Lam. as alpha-glucosidase and alpha-amylase inhibitors. (PMID:32718219)
• Recurrent evolution and selection shape structural diversity at the amylase locus. (PMID:39232174)

Cross-species orthologs

12 orthologs

Organism	Symbol	Gene ID
drosophila_melanogaster	Amy-d	FBGN0000078
drosophila_melanogaster	Amy-p	FBGN0000079
drosophila_melanogaster	Mal-A2	FBGN0002569
drosophila_melanogaster	Mal-A3	FBGN0002571
drosophila_melanogaster	Amyrel	FBGN0020506
drosophila_melanogaster	Mal-B1	FBGN0032381
drosophila_melanogaster	Mal-B2	FBGN0032382
drosophila_melanogaster	Mal-A4	FBGN0033294
drosophila_melanogaster	Mal-A7	FBGN0033296
drosophila_melanogaster	Mal-A8	FBGN0033297
drosophila_melanogaster	Mal-A6	FBGN0050360
caenorhabditis_elegans		WBGENE00008220

Paralogs (7): GBE1 (ENSG00000114480), SLC3A1 (ENSG00000138079), SLC3A2 (ENSG00000168003), AMY1B (ENSG00000174876), AMY1C (ENSG00000187733), AMY1A (ENSG00000237763), AMY2B (ENSG00000240038)

Protein

Protein identifiers

Pancreatic alpha-amylase — P04746 (reviewed: P04746)

Alternative names: 1,4-alpha-D-glucan glucanohydrolase

All UniProt accessions (2): H7BZQ8, P04746

UniProt curated annotations — full annotation on UniProt →

Subunit / interactions. Monomer. Binds to the sea anemone inhibitor helianthamide.

Subcellular location. Secreted. Extracellular space.

Tissue specificity. Detected in pancreas (at protein level).

Cofactor. Binds 1 Ca(2+) ion per subunit. Binds 1 Cl(-) ion per subunit.

Similarity. Belongs to the glycosyl hydrolase 13 family.

Isoforms (2)

UniProt ID	Names	Canonical?
P04746-1	1	yes
P04746-2	2

RefSeq proteins (1): NP_000690* (*=MANE)

Domains & families (InterPro)

ID	Name	Type
IPR006046	Alpha_amylase	Family
IPR006047	GH13_cat_dom	Domain
IPR006048	A-amylase/branching_C	Domain
IPR013780	Glyco_hydro_b	Homologous_superfamily
IPR017853	GH_hydrolase_sf	Homologous_superfamily
IPR031319	A-amylase_C	Domain

Pfam: PF00128, PF02806

Enzyme classification (BRENDA):

• EC 3.2.1.1 — alpha-amylase (BRENDA: 280 organisms, 645 substrates, 924 inhibitors, 310 Km, 239 kcat entries)

Substrate kinetics (BRENDA)

43 substrates with measured Km, best-characterized 15. Km ranges are aggregated across organisms/conditions.

Substrate	Km (mM)	Measurements
2-CHLORO-4-NITROPHENYL BETA-D-MALTOHEPTAOSIDE	0.6–10	25
4,6-ETHYLIDENE-[G7]-P-NITROPHENYL-[G1]-ALPHA-D-M	0.01–0.281	16
STARCH	0.005–167.6	14
AMYLOSE	0.0002–18.2	10
AMYLOSE DP17	0.12–2.36	9
INSOLUBLE BLUE STARCH	0.3–1.5	9
MALTOTRIOSE	0.198–62.9	9
SOLUBLE STARCH	0.0006–3.05	9
2-CHLORO-4-NITROPHENYL ALPHA-MALTOTRIOSIDE	0.45–1.3	8
MALTOHEPTAOSE	0.21–3.37	7
MALTOPENTAOSE	0.12–3.1	7
4-NITROPHENYL ALPHA-D-MALTOHEPTAOSIDE-4,6-O-ETHY	0.065–0.26	6
MALTOHEXAOSE	0.43–6.37	4
PULLULAN	0.57–20	4
ALPHA-CYCLODEXTRIN	2.61–52	3

UniProt features (89 total): strand 29, helix 22, turn 11, binding site 7, mutagenesis site 6, disulfide bond 5, splice variant 2, active site 2, signal peptide 1, chain 1, site 1, modified residue 1, glycosylation site 1

Structure

Experimental structures (PDB)

51 structures, top 30 by resolution.

PDB	Method	Resolution (Å)
5U3A	X-RAY DIFFRACTION	0.95
4X9Y	X-RAY DIFFRACTION	1.07
6OCN	X-RAY DIFFRACTION	1.15
4GQR	X-RAY DIFFRACTION	1.2
5EMY	X-RAY DIFFRACTION	1.23
6OBX	X-RAY DIFFRACTION	1.3
4GQQ	X-RAY DIFFRACTION	1.35
4W93	X-RAY DIFFRACTION	1.35
5E0F	X-RAY DIFFRACTION	1.4
6Z8L	X-RAY DIFFRACTION	1.4
3IJ8	X-RAY DIFFRACTION	1.43
3OLI	X-RAY DIFFRACTION	1.5
3OLE	X-RAY DIFFRACTION	1.55
1HNY	X-RAY DIFFRACTION	1.8
5KEZ	X-RAY DIFFRACTION	1.83
3IJ9	X-RAY DIFFRACTION	1.85
1KBB	X-RAY DIFFRACTION	1.9
1KBK	X-RAY DIFFRACTION	1.9
1U30	X-RAY DIFFRACTION	1.9
1XCX	X-RAY DIFFRACTION	1.9
3BAI	X-RAY DIFFRACTION	1.9
3BAK	X-RAY DIFFRACTION	1.9
3BAX	X-RAY DIFFRACTION	1.9
1U2Y	X-RAY DIFFRACTION	1.95
1U33	X-RAY DIFFRACTION	1.95
2QV4	X-RAY DIFFRACTION	1.97
3BAY	X-RAY DIFFRACTION	1.99
1BSI	X-RAY DIFFRACTION	2
1CPU	X-RAY DIFFRACTION	2
1KGU	X-RAY DIFFRACTION	2

Predicted structure (AlphaFold)

Model	pLDDT	Fraction very-high
AF-P04746-F1	96.68	0.96

Functional residue map

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

Catalytic / active sites (3): 315 (transition state stabilizer); 212 (nucleophile); 248 (proton donor)

Ligand- & substrate-binding residues (7): 352; 115; 173; 182; 210; 216; 313

Post-translational modifications (1): 16

Disulfide bonds (5): 43–101, 85–130, 156–175, 393–399, 465–477

Glycosylation sites (1): 476

Mutagenesis-validated functional residues (6):

Position	Phenotype
210	abolishes chloride binding; strongly reduces activity.
212	abolishes activity.
248	reduces activity.
313	reduces affinity for chloride; reduces activity.
315	strongly reduces activity.
352	abolishes chloride binding; has only slight effect on activity.

Function

Pathways and Gene Ontology

Reactome pathways

6 pathways

ID	Pathway
R-HSA-189085	Digestion of dietary carbohydrate
R-HSA-9925561	Developmental Lineage of Pancreatic Acinar Cells
R-HSA-1266738	Developmental Biology
R-HSA-8935690	Digestion
R-HSA-8963743	Digestion and absorption
R-HSA-9734767	Developmental Cell Lineages

MSigDB gene sets: 68 (showing top): GOBP_DIGESTION, RORA1_01, REACTOME_DIGESTION_OF_DIETARY_CARBOHYDRATE, TGACCTY_ERR1_Q2, IRF7_01, TGCTGAY_UNKNOWN, GOBP_CARBOHYDRATE_METABOLIC_PROCESS, KEGG_STARCH_AND_SUCROSE_METABOLISM, TATA_C, GOBP_CARBOHYDRATE_CATABOLIC_PROCESS, CREBP1_01, chr1p21, TGACCTTG_SF1_Q6, AR_Q2, CAMPS_COLON_CANCER_COPY_NUMBER_DN

GO Biological Process (3): carbohydrate metabolic process (GO:0005975), carbohydrate catabolic process (GO:0016052), polysaccharide digestion (GO:0044245)

GO Molecular Function (9): alpha-amylase activity (GO:0004556), calcium ion binding (GO:0005509), chloride ion binding (GO:0031404), catalytic activity (GO:0003824), amylase activity (GO:0016160), hydrolase activity (GO:0016787), hydrolase activity, acting on glycosyl bonds (GO:0016798), cation binding (GO:0043169), metal ion binding (GO:0046872)

GO Cellular Component (3): extracellular region (GO:0005576), obsolete extracellular space (GO:0005615), extracellular exosome (GO:0070062)

Reactome top-level categories

Rollup of top-4 pathways:

Category	Pathways
Digestion	1
Developmental Cell Lineages of the Exocrine Pancreas	1
Digestion and absorption	1
Developmental Biology	1

GO top-level categories

Rollup of top GO terms by namespace:

Category	Terms
primary metabolic process	1
carbohydrate metabolic process	1
catabolic process	1
digestion	1
amylase activity	1
metal ion binding	1
anion binding	1
molecular_function	1
hydrolase activity, hydrolyzing O-glycosyl compounds	1
catalytic activity	1
hydrolase activity	1
ion binding	1
cation binding	1
cellular anatomical structure	1
extracellular vesicle	1

Protein interactions and networks

STRING

1810 interactions, top by confidence (×1000):

Protein A	Protein B	Partner UniProt	Score
AMY2A	MGAM	O43451	988
AMY2A	MGAM2	Q2M2H8	985
AMY2A	SI	P14410	926
AMY2A	GYG1	P46976	884
AMY2A	GYG2	O15488	869
AMY2A	CTRB1	P17538	845
AMY2A	CTRB2	Q6GPI1	844
AMY2A	HAO1	Q9UJM8	820
AMY2A	PNLIP	P16233	794
AMY2A	BPI	P17213	763
AMY2A	ALB	P02768	754
AMY2A	INS	P01308	735
AMY2A	TXNL1	O43396	712
AMY2A	MANBA	O00462	684
AMY2A	BCHE	P06276	677

IntAct

14 interactions, top by confidence:

A	B	Type	Score
IGF1R	AMY2A	psi-mi:“MI:0915”(physical association)	0.370
AMY2A	TRIAP1	psi-mi:“MI:0915”(physical association)	0.370
BCL2L12	AMY2A	psi-mi:“MI:0914”(association)	0.350
DUSP4	MYO1C	psi-mi:“MI:0914”(association)	0.350
DUSP4	PSMD11	psi-mi:“MI:0914”(association)	0.350
P		psi-mi:“MI:0914”(association)	0.350
AMY2A	GYG2	psi-mi:“MI:0914”(association)	0.350
TOMM7	AMY2A	psi-mi:“MI:0914”(association)	0.350
AMY2A	GYS1	psi-mi:“MI:0914”(association)	0.350
BTBD1	IGHA2	psi-mi:“MI:0914”(association)	0.350
ZNF843	AMY2A	psi-mi:“MI:0914”(association)	0.350
CDK6	PIGR	psi-mi:“MI:0914”(association)	0.350

BioGRID (20): AMY2A (Affinity Capture-MS), AMY2A (Affinity Capture-MS), AMY2A (Affinity Capture-MS), AMY2A (Affinity Capture-MS), AMY2A (Affinity Capture-MS), AMY2A (Affinity Capture-MS), AMY2B (Affinity Capture-MS), HSPA5 (Affinity Capture-MS), GYG2 (Affinity Capture-MS), GYS1 (Affinity Capture-MS), GYG1 (Affinity Capture-MS), RIOK2 (Affinity Capture-MS), AMY2A (Affinity Capture-MS), AMY2A (Affinity Capture-MS), ANKRD9 (Affinity Capture-MS)

ESM2 similar proteins: H2N0D4, O18344, O18345, O18408, O18420, O18552, O76260, O76261, O76262, O76263, O76264, O76265, O76284, O76459, O77011, O77012, O77013, O77014, O77015, O77016, O77018, O77019, O77020, O77021, O77022, O97396, P00687, P00688, P00689, P00690, P04063, P04746, P04750, P08144, P09107, P0DTE7, P0DTE8, P0DUB6, P19961, P54215

Diamond homologs: A0A096XJN4, B0KZK1, H2N0D4, O18344, O18345, O18408, O18420, O18552, O76260, O76261, O76262, O76263, O76264, O76265, O76284, O76459, O77011, O77012, O77013, O77014, O77015, O77016, O77018, O77019, O77020, O77021, O77022, O97396, P00687, P00688, P00689, P00690, P04746, P08144, P08486, P09107, P09794, P0DTE7, P0DTE8, P0DUB6

SIGNOR signaling

0 interactions.

Disease & clinical

Clinical variants and AI predictions

ClinVar

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

Classification	Count (floor)
Pathogenic	0
Likely pathogenic	0
Uncertain significance	70
Likely benign	4
Benign	2

Top pathogenic / likely-pathogenic (0)

SpliceAI

1319 predictions. Top by Δscore:

Variant	Effect	Δscore
1:103618098:GGG:G	donor_gain	1.0000
1:103618099:GG:G	donor_gain	1.0000
1:103618099:GGG:G	donor_gain	1.0000
1:103618100:GG:G	donor_gain	1.0000
1:103618905:TTCTA:T	acceptor_loss	1.0000
1:103618906:TCTAG:T	acceptor_loss	1.0000
1:103618907:CTAGG:C	acceptor_loss	1.0000
1:103618908:TAGG:T	acceptor_loss	1.0000
1:103618909:AGGT:A	acceptor_loss	1.0000
1:103618910:G:GT	acceptor_loss	1.0000
1:103618910:GGTTC:G	acceptor_gain	1.0000
1:103619105:TCAG:T	donor_loss	1.0000
1:103619106:CAGG:C	donor_loss	1.0000
1:103619107:AG:A	donor_loss	1.0000
1:103619109:G:A	donor_loss	1.0000
1:103619110:T:G	donor_loss	1.0000
1:103619741:G:GG	donor_gain	1.0000
1:103619758:GGAA:G	donor_gain	1.0000
1:103619759:G:T	donor_gain	1.0000
1:103619759:GAAG:G	donor_gain	1.0000
1:103619781:GGAG:G	donor_gain	1.0000
1:103619782:G:GT	donor_gain	1.0000
1:103620685:G:GG	donor_gain	1.0000
1:103621692:GATGC:G	donor_gain	1.0000
1:103621696:C:G	donor_gain	1.0000
1:103623859:A:AG	acceptor_gain	1.0000
1:103624091:TTTA:T	acceptor_loss	1.0000
1:103624092:TTAG:T	acceptor_loss	1.0000
1:103624094:A:AC	acceptor_loss	1.0000
1:103624094:A:AG	acceptor_gain	1.0000

AlphaMissense

3415 scored. Top likely-pathogenic:

Variant	Protein change	am_pathogenicity
1:103618086:T:A	C101S	0.999
1:103618087:G:C	C101S	0.999
1:103618940:T:A	N115K	0.999
1:103618940:T:G	N115K	0.999
1:103619685:G:C	K215N	0.999
1:103619685:G:T	K215N	0.999
1:103620617:T:C	F271L	0.999
1:103620619:C:A	F271L	0.999
1:103620619:C:G	F271L	0.999
1:103621637:C:A	N313K	0.999
1:103621637:C:G	N313K	0.999
1:103617540:T:A	W34R	0.998
1:103617540:T:C	W34R	0.998
1:103617542:G:C	W34C	0.998
1:103617542:G:T	W34C	0.998
1:103617567:T:A	C43S	0.998
1:103617568:G:A	C43Y	0.998
1:103617568:G:C	C43S	0.998
1:103617569:T:G	C43W	0.998
1:103618002:T:A	W73R	0.998
1:103618002:T:C	W73R	0.998
1:103618004:G:C	W73C	0.998
1:103618004:G:T	W73C	0.998
1:103618087:G:A	C101Y	0.998
1:103618087:G:T	C101F	0.998
1:103618088:T:G	C101W	0.998
1:103619563:T:A	C175S	0.998
1:103619564:G:C	C175S	0.998
1:103619565:T:G	C175W	0.998
1:103619663:G:A	G208E	0.998

dbSNP variants (sampled 300 via entrez): RS1000440825 (1:103615248 C>A,G,T), RS1000473243 (1:103614927 A>T), RS1000719351 (1:103620785 CAA>C), RS1001332486 (1:103618869 C>T), RS1001659470 (1:103619191 A>T), RS1002259080 (1:103618031 T>C,G), RS1003284191 (1:103616642 CT>C), RS1005019919 (1:103616869 A>C,G), RS1005281421 (1:103617099 T>C,G), RS1006169106 (1:103625418 A>G), RS1006739588 (1:103615775 T>C,G), RS1007114778 (1:103620533 T>G), RS1007188334 (1:103619934 A>C,G,T), RS1009180350 (1:103617491 T>C), RS1009950347 (1:103618524 G>C,T)

Disease associations

OMIM: gene MIM:104650 | disease phenotypes: MIM:154780, MIM:228520, MIM:604841, MIM:618533

GenCC curated gene-disease

Mondo (4): Marshall syndrome (MONDO:0007949), fibrochondrogenesis 1 (MONDO:0009226), Stickler syndrome type 2 (MONDO:0011493), hearing loss, autosomal dominant 37 (MONDO:0032802)

Orphanet (4): Fibrochondrogenesis (Orphanet:2021), Marshall syndrome (Orphanet:560), Stickler syndrome (Orphanet:828), Stickler syndrome type 2 (Orphanet:90654)

HPO phenotypes

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

GWAS associations

0 associations (top):

MeSH disease descriptors (2)

Descriptor	Name	Tree numbers
C536025	Marshall syndrome (supp.)
C537493	Stickler syndrome, type 2 (supp.)

Drugs & pharmacology

Drug and pharmacology data

Is drug target: yes

ChEMBL targets (1): CHEMBL2045 (SINGLE PROTEIN)

Molecules with ChEMBL bioactivity

1 molecules (phase ≥1), by development phase (incl. off-target/promiscuous compounds). Patent mentions across the top 20 by phase: 16 (via chembl_molecule»patent_compound — counts attach to the compound, not the gene–compound relationship, so off-target/promiscuous molecules can dominate).

Molecule	Name	Phase	Patents
CHEMBL404271	ACARBOSE	4	16

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

GtoPdb / IUPHAR curated pharmacology

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

Target class: enzyme — 3.2.1.- Glycosidases

Most potent curated ligand interactions (1 total), top 1:

Ligand	Action	Affinity	Parameter
acarbose	Inhibition	4.45	pIC50

Binding affinities (BindingDB)

13 measured of 14 human assays (14 total across all organisms); most potent 13 below. Values come from heterogeneous assays and are not directly comparable.

Ligand	Measure	Value
piHA-D1	KI	1 nM
piHA-D3	KI	2.7 nM
Montbretin A (MbA)	KI	8.1 nM
MbA-G (1)	KI	9.1 nM
MbA-R (2)	KI	21.3 nM
YPYSCWVRH	IC50	34 nM
MbA-RX (3)	KI	42.4 nM
MbA-GR (4)	KI	79.3 nM
mini-MbA	KI	93.3 nM
MbA-C (6)	KI	730 nM
MbA-CG (7)	KI	2240 nM
MbA-CR (8)	KI	46800 nM
MbA-CGR (9)	KI	128000 nM

ChEMBL bioactivities

23 potent at pChembl≥5 of 37 total, top 23 by pChembl (potency: 10 = 0.1 nM, 6 = 1 µM).

pChembl	Type	Value	Unit	Molecule
10.30	EC50	0.05	nM	CHEMBL384035
9.52	IC50	0.3	nM	CHEMBL386811
9.30	IC50	0.5	nM	CHEMBL263876
9.00	IC50	1	nM	CHEMBL414180
8.52	EC50	3	nM	CHEMBL274661
8.40	EC50	4	nM	CHEMBL262155
8.22	EC50	6	nM	CHEMBL216079
8.10	Ki	8	nM	CHEMBL3618493
8.10	IC50	8	nM	CHEMBL385918
7.92	Ki	12	nM	CHEMBL3618491
7.92	Ki	12	nM	CHEMBL1233515
7.84	Ki	14.3	nM	CHEMBL3616594
7.83	Ki	14.7	nM	CHEMBL3618489
7.70	EC50	20	nM	CHEMBL441165
7.70	EC50	20	nM	CHEMBL217424
7.66	EC50	22	nM	CHEMBL444113
7.38	Ki	41.6	nM	CHEMBL3616595
7.30	EC50	50	nM	CHEMBL217234
7.12	Ki	75	nM	CHEMBL1230193
5.90	Ki	1250	nM	CHEMBL3618488
5.59	IC50	2590	nM	CHEMBL3618487
5.44	Ki	3600	nM	CHEMBL3618494
5.21	Ki	6100	nM	CHEMBL3618495

PubChem BioAssay actives

34 with measured affinity, of 78 total; 34 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
(3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-sulfooxyphenyl)propanoyl]amino]hexanoyl]amino]acetyl]amino]propanoyl]amino]hexanoyl]amino]-4-oxobutanoic acid	38533: Tested in vitro for amylase release from rat pancreatic acini	ec50	0.0001	uM
(3S)-3-[[(2S)-2-[[(2R)-3-(1H-indol-3-yl)-2-[[2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-sulfophenyl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]acetyl]amino]propanoyl]amino]hexanoyl]amino]-4-oxo-4-(2-phenylethoxy)butanoic acid	38536: Tested in vitro for inhibition of amylase release from rat pancreatic acini	ic50	0.0003	uM
(3R)-3-[[(2S)-2-[[(2R)-3-(1H-indol-3-yl)-2-[[2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-sulfophenyl)propanoyl]amino]hexanoyl]amino]acetyl]amino]propanoyl]amino]hexanoyl]amino]-7-phenylheptanoic acid	38536: Tested in vitro for inhibition of amylase release from rat pancreatic acini	ic50	0.0005	uM
(4R)-4-[[(2S)-5-carbamimidamido-2-[[(2S,3S)-2-[[(2S)-5-carbamimidamido-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-carbamimidamido-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[(3S,10S,13S,16S)-10-(hydroxymethyl)-3,13-bis[(4-hydroxyphenyl)methyl]-2,5,9,12,15-pentaoxo-7-thia-1,4,8,11,14-pentazabicyclo[14.3.0]nonadecan-8-yl]-3-sulfanylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]pentanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-methylbutanoyl]amino]pentanoyl]amino]-3-methylpentanoyl]amino]pentanoyl]amino]-5-[[(2S)-1,4-diamino-1,4-dioxobutan-2-yl]amino]-5-oxopentanoic acid	1802658: Inhibition Kinetics Assay from Article 10.1016/j.chembiol.2017.02.001: “Rapid Discovery of Potent and Selective Glycosidase-Inhibiting De Novo Peptides.”	ki	0.0010	uM
(3R)-3-[[(2S)-2-[[(2R)-3-(1H-indol-3-yl)-2-[[2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-sulfophenyl)propanoyl]amino]hexanoyl]amino]acetyl]amino]propanoyl]amino]hexanoyl]amino]-6-phenoxyhexanoic acid	38536: Tested in vitro for inhibition of amylase release from rat pancreatic acini	ic50	0.0010	uM
(3S)-4-[(2S)-2-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-imidazolidin-4-yl-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-[[(2S)-2-[[(2S)-2-[[(2S)-5-carbamimidamido-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[(3S,10S,13S,16S)-10-(hydroxymethyl)-3,13-bis[(4-hydroxyphenyl)methyl]-2,5,9,12,15-pentaoxo-7-thia-1,4,8,11,14-pentazabicyclo[14.3.0]nonadecan-8-yl]-3-sulfanylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoyl]amino]pentanoyl]amino]-3-imidazolidin-4-ylpropanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoic acid	1802658: Inhibition Kinetics Assay from Article 10.1016/j.chembiol.2017.02.001: “Rapid Discovery of Potent and Selective Glycosidase-Inhibiting De Novo Peptides.”	ki	0.0027	uM
(3S)-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-sulfophenyl)propanoyl]amino]hexanoyl]amino]acetyl]amino]propanoyl]amino]hexanoyl]amino]-4-oxo-4-(2-phenylethoxy)butanoic acid	38535: Tested in vitro for amylase release from rat pancreatic acini (percent of secretion)	ec50	0.0030	uM
(3R)-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-sulfophenyl)propanoyl]amino]hexanoyl]amino]acetyl]amino]propanoyl]amino]hexanoyl]amino]-6-phenoxyhexanoic acid	38535: Tested in vitro for amylase release from rat pancreatic acini (percent of secretion)	ec50	0.0040	uM
(3R)-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-sulfophenyl)propanoyl]amino]hexanoyl]amino]acetyl]amino]propanoyl]amino]hexanoyl]amino]-7-phenylheptanoic acid	38535: Tested in vitro for amylase release from rat pancreatic acini (percent of secretion)	ec50	0.0060	uM
(2S)-N-[(2S)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[(3S,10S,13S,16S)-10-(hydroxymethyl)-3,13-bis[(4-hydroxyphenyl)methyl]-2,5,9,12,15-pentaoxo-7-thia-1,4,8,11,14-pentazabicyclo[14.3.0]nonadecan-8-yl]-3-sulfanylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoyl]amino]pentanamide	1802658: Inhibition Kinetics Assay from Article 10.1016/j.chembiol.2017.02.001: “Rapid Discovery of Potent and Selective Glycosidase-Inhibiting De Novo Peptides.”	ki	0.0070	uM
[(2R,3S,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-2-[[3-[4-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxyphenyl]-6,8-dihydroxy-1-oxo-4H-naphthalen-2-yl]oxy]-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate	1248396: Competitive inhibition of human pancreatic alpha-amylase by double reciprocal plot analysis	ki	0.0080	uM
(3S)-3-[[(2S)-2-[[(2R)-3-(1H-indol-3-yl)-2-[[2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-sulfophenyl)propanoyl]amino]hexanoyl]amino]acetyl]amino]propanoyl]amino]hexanoyl]amino]-6-phenoxyhexanoic acid	38536: Tested in vitro for inhibition of amylase release from rat pancreatic acini	ic50	0.0080	uM
[(3S,5S,6S)-6-[(2S,3S,5R)-2-[5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate	1801338: Kinetic Studies from Article 10.1038/nchembio.1865: “The amylase inhibitor montbretin A reveals a new glycosidase inhibition motif.”	ki	0.0081	uM
[(2R,3S,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-2-[2-[4-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxyphenyl]-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate	1801338: Kinetic Studies from Article 10.1038/nchembio.1865: “The amylase inhibitor montbretin A reveals a new glycosidase inhibition motif.”	ki	0.0091	uM
6-[[5-[5-[[4-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]-3,4-dihydroxy-6-methyloxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol	1248393: Inhibition of human pancreatic alpha-amylase	ki	0.0120	uM
(2R,3R,4S,5S,6R)-6-[[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol	1248393: Inhibition of human pancreatic alpha-amylase	ki	0.0120	uM
(2S,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-[[(1S,4R,5R,6S)-4-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-[[(1S,4R,5R,6S)-4-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]-3,4-dihydroxy-6-methyloxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]-3,4-dihydroxy-6-methyloxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol	1248391: Inhibition of human pancreatic alpha-amylase expressed in Pichia pastoris using amylase as substrate preincubated with substrate for 10 mins followed by protein addition measured every 5 mins by Dixon plot analysis	ki	0.0143	uM
(2S,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-[[(1S,4R,5R,6S)-4-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]-3,4-dihydroxy-6-methyloxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol	1248391: Inhibition of human pancreatic alpha-amylase expressed in Pichia pastoris using amylase as substrate preincubated with substrate for 10 mins followed by protein addition measured every 5 mins by Dixon plot analysis	ki	0.0147	uM
(3S)-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-sulfophenyl)propanoyl]amino]hexanoyl]amino]acetyl]amino]propanoyl]amino]hexanoyl]amino]-4-oxo-4-(2-phenylethylamino)butanoic acid	38535: Tested in vitro for amylase release from rat pancreatic acini (percent of secretion)	ec50	0.0200	uM
(3S)-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-sulfophenyl)propanoyl]amino]hexanoyl]amino]acetyl]amino]propanoyl]amino]hexanoyl]amino]-6-phenoxyhexanoic acid	38535: Tested in vitro for amylase release from rat pancreatic acini (percent of secretion)	ec50	0.0200	uM
[(2R,3S,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-2-[2-[3,5-dihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate	1801338: Kinetic Studies from Article 10.1038/nchembio.1865: “The amylase inhibitor montbretin A reveals a new glycosidase inhibition motif.”	ki	0.0213	uM
(3S)-3-[[(2S)-2-[[(2R)-3-(1H-indol-3-yl)-2-[[2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-sulfophenyl)propanoyl]amino]hexanoyl]amino]acetyl]amino]propanoyl]amino]hexanoyl]amino]-7-phenylheptanoic acid	38534: Tested in vitro for amylase release from rat pancreatic acini (% of amylase secretion at 1 mM)	ec50	0.0220	uM
(2S,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-[[(1S,4R,5R,6S)-4-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-[[(1S,4R,5R,6S)-4-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-[[(1S,4R,5R,6S)-4-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]-3,4-dihydroxy-6-methyloxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]-3,4-dihydroxy-6-methyloxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]-3,4-dihydroxy-6-methyloxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol	1248391: Inhibition of human pancreatic alpha-amylase expressed in Pichia pastoris using amylase as substrate preincubated with substrate for 10 mins followed by protein addition measured every 5 mins by Dixon plot analysis	ki	0.0416	uM
[(2R,3S,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-2-[5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate	1801338: Kinetic Studies from Article 10.1038/nchembio.1865: “The amylase inhibitor montbretin A reveals a new glycosidase inhibition motif.”	ki	0.0424	uM
(3S)-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-sulfophenyl)propanoyl]amino]hexanoyl]amino]acetyl]amino]propanoyl]amino]hexanoyl]amino]-7-phenylheptanoic acid	38535: Tested in vitro for amylase release from rat pancreatic acini (percent of secretion)	ec50	0.0500	uM
(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol	1248393: Inhibition of human pancreatic alpha-amylase	ki	0.0750	uM
[(2R,3S,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-2-[2-[3,5-dihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate	1801338: Kinetic Studies from Article 10.1038/nchembio.1865: “The amylase inhibitor montbretin A reveals a new glycosidase inhibition motif.”	ki	0.0793	uM
[(2R,3S,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-2-[5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate	1801338: Kinetic Studies from Article 10.1038/nchembio.1865: “The amylase inhibitor montbretin A reveals a new glycosidase inhibition motif.”	ki	0.0933	uM
3-[(2S,3R,4R,5R,6S)-3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-2-[4-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxyphenyl]-5,7-dihydroxychromen-4-one	1801338: Kinetic Studies from Article 10.1038/nchembio.1865: “The amylase inhibitor montbretin A reveals a new glycosidase inhibition motif.”	ki	0.7300	uM
2-[6-[4-[[6-[4,5-dihydroxy-2-(hydroxymethyl)-6-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]amino]-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol	1248391: Inhibition of human pancreatic alpha-amylase expressed in Pichia pastoris using amylase as substrate preincubated with substrate for 10 mins followed by protein addition measured every 5 mins by Dixon plot analysis	ki	1.2500	uM
3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-[4-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxyphenyl]-5,7-dihydroxychromen-4-one	1801338: Kinetic Studies from Article 10.1038/nchembio.1865: “The amylase inhibitor montbretin A reveals a new glycosidase inhibition motif.”	ki	2.2400	uM
(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-6-[(1R,2R,5S,6R)-4-[[(2R,3S,4S,5R,6R)-4,5-dihydroxy-2-methyl-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]amino]-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-3-en-1-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol	1248390: Inhibition of human pancreatic alpha-amylase expressed in Pichia pastoris using amylase as substrate preincubated with substrate for 10 mins followed by protein addition measured every 5 mins	ic50	2.5900	uM
[(2R,3S,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-2-[[3-[4-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxyphenyl]-6,8-dihydroxy-1-oxo-4H-naphthalen-2-yl]oxy]-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate	1248396: Competitive inhibition of human pancreatic alpha-amylase by double reciprocal plot analysis	ki	3.6000	uM
[(2R,3S,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-2-[[3-[4-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxyphenyl]-6,8-dihydroxy-1-oxo-4H-naphthalen-2-yl]oxy]-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate	1248396: Competitive inhibition of human pancreatic alpha-amylase by double reciprocal plot analysis	ki	6.1000	uM

CTD chemical–gene interactions

10 total (human), top 10 by PubMed support.

Chemical	Actions (top 5)	PubMed papers
bisphenol F	affects cotreatment, decreases methylation	1
Resveratrol	affects cotreatment, increases expression	1
Fulvestrant	affects cotreatment, decreases methylation	1
Biological Factors	increases expression	1
Cadmium	decreases expression	1
Cisplatin	increases expression	1
Plant Extracts	affects cotreatment, increases expression	1
Selenium	decreases expression	1
Vitamin E	decreases expression	1
Acrylamide	increases expression	1

ChEMBL screening assays

20 unique, capped per target: 15 binding, 5 functional

Representative assays (with source publication via chembl_document):

Assay ID	Type	Description	Source paper
CHEMBL1763988	Binding	Inhibition of human alpha-amylase assessed as formation of p-nitrophenol	Selective α-glucosidase substrates and inhibitors containing short aromatic peptidyl moieties. — Bioorg Med Chem Lett
CHEMBL649505	Functional	Agonist activity expressed as effective concentration that causes 50% stimulation of amylase release from guinea pig pancreatic acini.; ND means no significant activity at 10e-4 M	Boc-Trp-Orn(Z)-Asp-NH2 and derivatives: a new family of CCK antagonists. — J Med Chem

Clinical trials (associated diseases)

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

Trial	Phase	Status	Title
NCT01793168	Not specified	RECRUITING	Rare Disease Patient Registry & Natural History Study - Coordination of Rare Diseases at Sanford
NCT03655223	Not specified	ENROLLING_BY_INVITATION	Early Check: Expanded Screening in Newborns
NCT07146516	Not specified	RECRUITING	Retinal Detachment Prevention (Laser Prophylaxis) in Stickler Syndrome (SS)