CA5B

gene
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Summary

CA5B (carbonic anhydrase 5B, HGNC:1378) is a protein-coding gene on chromosome Xp22.2, encoding Carbonic anhydrase 5B, mitochondrial (Q9Y2D0). Mitochondrial carbonic anhydrase that catalyzes the reversible conversion of carbon dioxide to bicarbonate/HCO3.

Carbonic anhydrases (CAs) are a large family of zinc metalloenzymes that catalyze the reversible hydration of carbon dioxide. They participate in a variety of biological processes, including respiration, calcification, acid-base balance, bone resorption, and the formation of aqueous humor, cerebrospinal fluid, saliva, and gastric acid. They show extensive diversity in tissue distribution and in their subcellular localization. This gene encodes carbonic anhydrase 5B. CA5B, and the related CA5A gene, has its expression localized in the mitochondria though CA5B has a wider tissue distribution than CA5A, which is restricted to the liver, kidneys, and skeletal muscle. A carbonic anhydrase pseudogene (CA5BP1) is adjacent to the CA5B gene and these two loci produce CA5BP1-CA5B readthrough transcripts.

Source: NCBI Gene 11238 — RefSeq curated summary.

At a glance

  • Clinical variants (ClinVar): 99 total
  • Druggable target: yes — 47 molecules with ChEMBL bioactivity
  • MANE Select transcript: NM_007220

Identifiers

Gene identifiers

FieldValue
HGNC IDHGNC:1378
Approved symbolCA5B
Namecarbonic anhydrase 5B
LocationXp22.2
Locus typegene with protein product
StatusApproved
Ensembl geneENSG00000169239
Ensembl biotypeprotein_coding
OMIM300230
Entrez11238

Gene structure

Transcript identifiers

Ensembl transcripts: 10 — 4 protein_coding, 4 retained_intron, 1 protein_coding_CDS_not_defined, 1 nonsense_mediated_decay

ENST00000318636, ENST00000380313, ENST00000380319, ENST00000474624, ENST00000478341, ENST00000478923, ENST00000479740, ENST00000496188, ENST00000498004, ENST00000948118

RefSeq mRNA: 1 — MANE Select: NM_007220 NM_007220

CCDS: CCDS14171

Canonical transcript exons

ENST00000318636 — 8 exons

ExonStartEnd
ENSE000011606141577671415776869
ENSE000011606211577524615775308
ENSE000011606391577249615772614
ENSE000012783861578248515788411
ENSE000017036591573827015738352
ENSE000017809101576457815764775
ENSE000017859121577430215774397
ENSE000036337151574997115750165

Expression profiles

Bgee: expression breadth ubiquitous, 186 present calls, max score 94.16.

FANTOM5 (CAGE): breadth ubiquitous, TPM avg 7.6958 / max 196.5526, expressed in 1113 samples.

FANTOM5 promoters (2 alternative TSS)

Promoter IDTPM avgSamples expressed
1956136.1397940
1956141.5560483

Top tissues by expression

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

TissueAnatomy IDExpression scoreQuality
calcaneal tendonUBERON:000370194.16gold quality
monocyteCL:000057689.14gold quality
mononuclear cellCL:000084289.05gold quality
leukocyteCL:000073888.90gold quality
tendonUBERON:000004388.67gold quality
granulocyteCL:000009486.64gold quality
adrenal tissueUBERON:001830385.29gold quality
ascending aortaUBERON:000149684.69gold quality
thoracic aortaUBERON:000151584.46gold quality
right coronary arteryUBERON:000162584.36gold quality
tibial arteryUBERON:000761084.19gold quality
aortaUBERON:000094784.18gold quality
popliteal arteryUBERON:000225084.18gold quality
endocervixUBERON:000045883.96gold quality
descending thoracic aortaUBERON:000234583.44gold quality
left ovaryUBERON:000211983.08gold quality
type B pancreatic cellCL:000016982.84gold quality
right ovaryUBERON:000211882.80gold quality
tendon of biceps brachiiUBERON:000818882.77gold quality
left coronary arteryUBERON:000162682.67gold quality
olfactory bulbUBERON:000226482.55gold quality
ectocervixUBERON:001224982.47gold quality
smooth muscle tissueUBERON:000113582.46gold quality
coronary arteryUBERON:000162181.85gold quality
primordial germ cell in gonadCL:0000670 ∩ UBERON:000099181.74gold quality
islet of LangerhansUBERON:000000681.61gold quality
gall bladderUBERON:000211081.52gold quality
male germ line stem cell (sensu Vertebrata) in testisCL:0000089 ∩ UBERON:000047381.31gold quality
stromal cell of endometriumCL:000225580.95gold quality
skin of legUBERON:000151180.87gold quality

Single-cell (SCXA)

Detected in 1 experiment(s), a significant marker in 1.

ExperimentMarker?Max mean expression
E-ANND-3yes8.86

Regulation

Is transcription factor: no

miRNA regulators (miRDB)

155 targeting CA5B, top 30 by miRDB confidence (max_score; target_count = how many genes the miRNA targets in total — lower means more specific):

miRNAMax scoreAvg scoremiRNA target_count
HSA-MIR-3613-3P100.0076.367965
HSA-MIR-4455100.0065.481587
HSA-MIR-3163100.0077.238605
HSA-MIR-574-5P100.0066.01989
HSA-MIR-200B-3P100.0073.312693
HSA-MIR-200C-3P100.0073.352685
HSA-MIR-429100.0073.442698
HSA-MIR-6833-3P100.0070.633197
HSA-MIR-4533100.0069.482758
HSA-MIR-126-5P100.0072.713180
HSA-MIR-4768-5P100.0069.492861
HSA-MIR-5692A100.0074.406850
HSA-MIR-371B-5P99.9975.344759
HSA-MIR-186-5P99.9970.833707
HSA-MIR-520G-5P99.9966.76658
HSA-MIR-373-5P99.9875.364753
HSA-MIR-616-5P99.9875.584775
HSA-MIR-477599.9875.006394
HSA-MIR-480399.9871.993117
HSA-MIR-56899.9869.862084
HSA-MIR-548P99.9872.253784
HSA-MIR-1250-3P99.9670.044038
HSA-MIR-493-5P99.9672.472382
HSA-MIR-1468-3P99.9672.743797
HSA-MIR-590-3P99.9674.346478
HSA-MIR-391099.9571.132227
HSA-MIR-10527-5P99.9172.283754
HSA-MIR-568099.9169.833421
HSA-MIR-368699.9070.532432
HSA-MIR-627-3P99.9071.423316

Literature-anchored findings (GeneRIF, showing 3)

  • activators enhanced kcat, with no effect on KM, favoring the RDS in the catalytic cycle; the activation pattern of the two mitochondrial isoforms is very different from each other and as compared to those of the cytosolic isoforms hCA I and II. (PMID:17174092)
  • In 10 of 96 patients, mutations in CA5A were identified on both alleles but none in CA5B. Exhibiting decreased enzyme activity or thermal stability, all CAVA mutations were proven to cause disease, whereas the three variants showed no relevant effect (PMID:26913920)
  • Mitochondrial carbonic anhydrase VA and VB: properties and roles in health and disease. (PMID:36464834)

Cross-species orthologs

17 orthologs

OrganismSymbolGene ID
danio_rerioca5aENSDARG00000101778
mus_musculusCar5bENSMUSG00000031373
rattus_norvegicusCar5bENSRNOG00000029330
drosophila_melanogasterCAH13FBGN0033542
drosophila_melanogasterCAH14FBGN0034554
drosophila_melanogasterCAH15FBGN0034560
drosophila_melanogasterCAH7FBGN0037788
drosophila_melanogasterCAH8FBGN0038956
drosophila_melanogasterCAH4FBGN0039235
drosophila_melanogasterCAH9FBGN0039486
drosophila_melanogasterCAH6FBGN0039838
drosophila_melanogasterCAH16FBGN0040628
drosophila_melanogasterCAH5FBGN0040629
drosophila_melanogasterCARPBFBGN0052698
caenorhabditis_elegansWBGENE00000279
caenorhabditis_elegansWBGENE00000283
caenorhabditis_eleganscah-6WBGENE00000284

Paralogs (14): CA11 (ENSG00000063180), CA12 (ENSG00000074410), CA2 (ENSG00000104267), CA9 (ENSG00000107159), CA14 (ENSG00000118298), CA6 (ENSG00000131686), CA1 (ENSG00000133742), CA10 (ENSG00000154975), CA3 (ENSG00000164879), CA4 (ENSG00000167434), CA7 (ENSG00000168748), CA5A (ENSG00000174990), CA8 (ENSG00000178538), CA13 (ENSG00000185015)

Protein

Protein identifiers

Carbonic anhydrase 5B, mitochondrialQ9Y2D0 (reviewed: Q9Y2D0)

Alternative names: Carbonate dehydratase VB, Carbonic anhydrase VB

All UniProt accessions (4): Q9Y2D0, C9IZP3, C9JA11, H7C4G3

UniProt curated annotations — full annotation on UniProt →

Function. Mitochondrial carbonic anhydrase that catalyzes the reversible conversion of carbon dioxide to bicarbonate/HCO3.

Subcellular location. Mitochondrion.

Tissue specificity. Strongest expression in heart, pancreas, kidney, placenta, lung, and skeletal muscle. Not expressed in liver.

Activity regulation. Inhibited by coumarins, sulfonamide derivatives such as acetazolamide (AZA), saccharin and Foscarnet (phosphonoformate trisodium salt).

Similarity. Belongs to the alpha-carbonic anhydrase family.

RefSeq proteins (1): NP_009151* (*=MANE)

Domains & families (InterPro)

IDNameType
IPR001148CA_domDomain
IPR018338Carbonic_anhydrase_a-class_CSConserved_site
IPR023561Carbonic_anhydrase_a-classFamily
IPR036398CA_dom_sfHomologous_superfamily

Pfam: PF00194

Enzyme classification (BRENDA):

  • EC 4.2.1.1 — carbonic anhydrase (BRENDA: 178 organisms, 196 substrates, 2137 inhibitors, 263 Km, 291 kcat entries)

Substrate kinetics (BRENDA)

9 substrates with measured Km, best-characterized 9. Km ranges are aggregated across organisms/conditions.

SubstrateKm (mM)Measurements
CO20.012–4700194
4-NITROPHENYL ACETATE0.0024–30.5316
H2CO30.434–112.716
HCO3-9.3–374
P-NITROPHENYL ACETATE3.86–6.84
4-NITROPHENYL PHOSPHATE0.935–2.1952
COS1.861
HISTAMINE7.91
CS20

Catalyzed reactions (Rhea), 1 shown:

  • hydrogencarbonate + H(+) = CO2 + H2O (RHEA:10748)

UniProt features (7 total): binding site 4, transit peptide 1, chain 1, domain 1

Structure

Experimental structures (PDB)

0 structures.

Predicted structure (AlphaFold)

ModelpLDDTFraction very-high
AF-Q9Y2D0-F183.330.74

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 (4): 130; 132; 155; 235–236

Function

Pathways and Gene Ontology

Reactome pathways

2 pathways

IDPathway
R-HSA-1475029Reversible hydration of carbon dioxide
R-HSA-1430728Metabolism

MSigDB gene sets: 104 (showing top): GOMF_CARBONATE_DEHYDRATASE_ACTIVITY, GAUSSMANN_MLL_AF4_FUSION_TARGETS_A_UP, GOMF_HYDRO_LYASE_ACTIVITY, GOCC_MITOCHONDRIAL_MATRIX, WINNEPENNINCKX_MELANOMA_METASTASIS_DN, DODD_NASOPHARYNGEAL_CARCINOMA_DN, PR_Q2, chrXp22, DURAND_STROMA_S_UP, ZWANG_EGF_INTERVAL_DN, PTEN_DN.V2_UP, NOTCH_DN.V1_UP, KRAS.300_UP.V1_DN, KRAS.600_UP.V1_DN, KRAS.600.LUNG.BREAST_UP.V1_DN

GO Biological Process (1): response to bacterium (GO:0009617)

GO Molecular Function (5): carbonate dehydratase activity (GO:0004089), zinc ion binding (GO:0008270), protein binding (GO:0005515), lyase activity (GO:0016829), metal ion binding (GO:0046872)

GO Cellular Component (3): cytoplasm (GO:0005737), mitochondrion (GO:0005739), mitochondrial matrix (GO:0005759)

Reactome top-level categories

Rollup of top-1 pathways:

CategoryPathways
Metabolism1

GO top-level categories

Rollup of top GO terms by namespace:

CategoryTerms
response to other organism1
hydro-lyase activity1
transition metal ion binding1
binding1
catalytic activity1
cation binding1
intracellular anatomical structure1
cellular anatomical structure1
cytoplasm1
intracellular membrane-bounded organelle1
mitochondrion1
intracellular organelle lumen1

Protein interactions and networks

STRING

1270 interactions, top by confidence (×1000):

Protein AProtein BPartner UniProtScore
CA5BCYP24A1Q07973870
CA5BALBP02768556
CA5BTGP01266540
CA5BRNASE1P07998533
CA5BFTH1P02794508
CA5BATRNO75882475
CA5BMOSPD2Q8NHP6473
CA5BAP1S2P56377437
CA5BASB9Q96DX5427
CA5BSYAP1Q96A49403
CA5BSLC4A4Q9Y6R1393
CA5BTBC1D8O95759380
CA5BTMEM59Q9BXS4375
CA5BBLNKQ8WV28358
CA5BMAGEB17A8MXT2358

IntAct

2 interactions, top by confidence:

ABTypeScore
CA5BDBTpsi-mi:“MI:0915”(physical association)0.560
CA5BDBTpsi-mi:“MI:0914”(association)0.560

BioGRID (8): CA5B (Affinity Capture-RNA), CA5B (Affinity Capture-RNA), DBT (Affinity Capture-MS), RPS4Y1 (Affinity Capture-MS), DBT (Affinity Capture-MS), CA5B (Co-fractionation), CA5B (Co-fractionation), CA5B (Affinity Capture-RNA)

ESM2 similar proteins: A9RBS1, B0BNN3, F4HQD4, P00915, P00916, P00917, P00918, P00919, P00920, P00921, P00922, P04080, P07450, P07451, P07452, P07630, P13634, P14141, P16015, P27139, P35217, P43166, P48282, P48284, P60575, P83299, Q1LZA1, Q3SZX4, Q5S1S4, Q60446, Q6ESI7, Q76LA0, Q7M316, Q7M317, Q84MD8, Q8AVL0, Q8CAA7, Q8GWT4, Q8HY33, Q8I030

Diamond homologs: A0A7H0DN92, A0JN41, B0BNN3, O57211, P00915, P00916, P00917, P00918, P00919, P00920, P00921, P04195, P07450, P07451, P07452, P07630, P0DSY1, P0DSY2, P13634, P14141, P16015, P20508, P23470, P23471, P23589, P27139, P35217, P35218, P43165, P43166, P48282, P48283, P61215, P83299, Q05909, Q1LZA1, Q3SZX4, Q5R4U0, Q5S1S4, Q66HG6

SIGNOR signaling

0 interactions.

Disease & clinical

Clinical variants and AI predictions

ClinVar

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

ClassificationCount (floor)
Pathogenic0
Likely pathogenic0
Uncertain significance46
Likely benign2
Benign0

Top pathogenic / likely-pathogenic (0)

SpliceAI

1769 predictions. Top by Δscore:

VariantEffectΔscore
X:15738351:AGG:Adonor_loss1.0000
X:15738352:GGTA:Gdonor_loss1.0000
X:15738353:GT:Gdonor_loss1.0000
X:15750162:GCCT:Gdonor_gain1.0000
X:15774039:G:GTdonor_gain1.0000
X:15774290:AT:Aacceptor_gain1.0000
X:15774291:T:Gacceptor_gain1.0000
X:15774291:T:TAacceptor_gain1.0000
X:15774299:CAGCT:Cacceptor_loss1.0000
X:15774300:A:AGacceptor_gain1.0000
X:15774301:G:GGacceptor_gain1.0000
X:15774301:GCT:Gacceptor_gain1.0000
X:15774301:GCTGC:Gacceptor_gain1.0000
X:15774393:TAAAG:Tdonor_loss1.0000
X:15774394:AAAG:Adonor_loss1.0000
X:15774395:AAGG:Adonor_loss1.0000
X:15774396:AGGTA:Adonor_loss1.0000
X:15774397:GG:Gdonor_loss1.0000
X:15774399:T:Adonor_loss1.0000
X:15775245:GCTA:Gacceptor_gain1.0000
X:15776868:AGGT:Adonor_loss1.0000
X:15776870:GT:Gdonor_loss1.0000
X:15776871:T:Adonor_loss1.0000
X:15782479:TTCTA:Tacceptor_loss1.0000
X:15782480:TCTA:Tacceptor_loss1.0000
X:15782482:TAGC:Tacceptor_loss1.0000
X:15782483:A:AGacceptor_gain1.0000
X:15782483:AG:Aacceptor_loss1.0000
X:15782484:G:GAacceptor_gain1.0000
X:15782484:GCT:Gacceptor_gain1.0000

AlphaMissense

2078 scored. Top likely-pathogenic:

VariantProtein changeam_pathogenicity
X:15772549:C:GH132D1.000
X:15772552:T:AW133R1.000
X:15772552:T:CW133R1.000
X:15776789:G:TG232W1.000
X:15776790:G:AG232E1.000
X:15776828:T:AW245R1.000
X:15776828:T:CW245R1.000
X:15782585:T:AV292D1.000
X:15764632:C:AP66H0.999
X:15772543:C:GH130D0.999
X:15772551:C:AH132Q0.999
X:15772551:C:GH132Q0.999
X:15772554:G:CW133C0.999
X:15772554:G:TW133C0.999
X:15772555:G:TG134W0.999
X:15772580:A:TE142V0.999
X:15774303:T:CL154P0.999
X:15776777:T:AW228R0.999
X:15776777:T:CW228R0.999
X:15776789:G:AG232R0.999
X:15776789:G:CG232R0.999
X:15776790:G:TG232V0.999
X:15776792:T:CS233P0.999
X:15776796:T:CL234P0.999
X:15782550:C:AN280K0.999
X:15782550:C:GN280K0.999
X:15782551:T:CF281L0.999
X:15782553:C:AF281L0.999
X:15782553:C:GF281L0.999
X:15782554:C:AR282S0.999

dbSNP variants (sampled 300 via entrez): RS1000126800 (X:15777480 A>G), RS1000224946 (X:15747817 C>T), RS1000450493 (X:15738285 G>A), RS1000499115 (X:15778002 G>A,C), RS1000651563 (X:15780845 CTT>C), RS1000874949 (X:15760914 G>A), RS1000877607 (X:15737567 C>T), RS1000918524 (X:15770845 G>A), RS1000950986 (X:15753075 G>A), RS1000954311 (X:15760126 A>C), RS1000961270 (X:15745991 C>T), RS1001111848 (X:15749387 A>G), RS1001147548 (X:15787972 TACA>T), RS1001183587 (X:15750515 G>A,T), RS1001198211 (X:15788484 G>A)

Disease associations

OMIM: gene MIM:300230 | disease phenotypes:

GenCC curated gene-disease

Mondo (0):

Orphanet (0):

HPO phenotypes

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

GWAS associations

0 associations (top):

Drugs & pharmacology

Drug and pharmacology data

Is drug target: yes

ChEMBL targets (3): CHEMBL2095180 (PROTEIN FAMILY), CHEMBL2111457 (PROTEIN FAMILY), CHEMBL3969 (SINGLE PROTEIN)

Molecules with ChEMBL bioactivity

47 molecules (phase ≥1), by development phase (incl. off-target/promiscuous compounds). Patent mentions across the top 20 by phase: 799,685 (via chembl_molecule»patent_compound — counts attach to the compound, not the gene–compound relationship, so off-target/promiscuous molecules can dominate).

MoleculeNamePhasePatents
CHEMBL19METHAZOLAMIDE465
CHEMBL20ACETAZOLAMIDE428,768
CHEMBL750ZONISAMIDE416,649
CHEMBL18ETHOXZOLAMIDE43,042
CHEMBL220492TOPIRAMATE435,160
CHEMBL1054TRICHLORMETHIAZIDE411,619
CHEMBL1055CHLORTHALIDONE420,442
CHEMBL118CELECOXIB4112,844
CHEMBL1200471PYRITHIONE ZINC424,834
CHEMBL1286LEVETIRACETAM413,997
CHEMBL17DICHLORPHENAMIDE49,022
CHEMBL21SULFANILAMIDE4153,075
CHEMBL2105581VERALIPRIDE41,165
CHEMBL218490DORZOLAMIDE410,216
CHEMBL220491BRINZOLAMIDE48,355
CHEMBL255863NILOTINIB438,627
CHEMBL26SULPIRIDE458,543
CHEMBL325041BORTEZOMIB413,120
CHEMBL35FUROSEMIDE4224,045
CHEMBL406INDAPAMIDE416,097
CHEMBL419MAFENIDE4
CHEMBL537HYDROQUINONE4
CHEMBL58323LACOSAMIDE4
CHEMBL609TRIENTINE4
CHEMBL6466COUMARIN4
CHEMBL865VALDECOXIB4
CHEMBL902FAMOTIDINE4
CHEMBL926DOBUTAMINE4
CHEMBL941IMATINIB4
CHEMBL1352NITRIC ACID3

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

Binding affinities (BindingDB)

49 measured of 59 human assays (103 total across all organisms); most potent 49 below. Values come from heterogeneous assays and are not directly comparable.

LigandMeasureValue
3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acidEC500.0469 nM
(4S)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-2H,3H,4H-1,7,2-thieno[3,2-e][1,2]thiazine-6-sulfonamideKI3 nM
aliphatic sulfamate, 1KI3.7 nM
cid_694792KI60 nM
sulfonamide deriv., 7cKI60 nM
sulfonamide deriv., 5aKI61 nM
sulfonamide deriv., 7eKI61 nM
sulfonamide deriv., 8KI63 nM
sulfonamide deriv., 7dKI67 nM
sulfonamide deriv., 5fKI68 nM
sulfonamide deriv., 7hKI71 nM
sulfonamide deriv., 6KI72 nM
sulfonamide deriv., 7iKI73 nM
sulfonamide deriv., 7bKI75 nM
sulfonamide deriv., 7gKI75 nM
sulfonamide deriv., 5cKI77 nM
sulfonamide deriv., 5dKI84 nM
2-(hydrazinecarbonyl)-3-(2-methylphenyl)-1H-indole-5-sulfonamideKI107 nM
sulfonamide deriv., 7aKI108 nM
3-(2-bromophenyl)-2-(hydrazinecarbonyl)-1H-indole-5-sulfonamideKI110 nM
sulfonamide deriv., 5bKI161 nM
Topiramate, 3KI250 nM
sulfonamide deriv., 7fKI263 nM
6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-3-yl sulfamateIC50300 nM
JFD00715KI328 nM
trichloromethiazide, 6KI345 nM
bis-sulfamate, 3KI378 nM
aliphatic sulfamate, 2KI530 nM
3-(2-fluorophenyl)-2-(hydrazinecarbonyl)-1H-indole-5-sulfonamideKI621 nM
Investigational agent, 5KI810 nM
Investigational agent, 4KI850 nM
bis-sulfamate, 4KI890 nM
1,3,4-Thiadiazole-2-sulfonamide, 6IC502700 nM
BMCL182567 Compound 6bKI2840 nM
amino-N-{[(1R,2S,6S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^{2,6}]dodecan-6-yl]methyl}sulfonamideKI3450 nM
[2-(cycloheptylmethyl)-1,1-dioxo–benzothiophen-6-yl] sulfamateKI3600 nM
salicylic acidKI9900 nM
4-chloro-N-(2-methyl-2,3-dihydro-1H-indol-1-yl)-3-sulfamoylbenzamideKD10000 nM
phenolKI10200 nM
4-methylbenzene-1-sulfonamideIC5022100 nM
3,5-difluorophenolKI38800 nM
Dorzolamide, DZAKI50000 nM
7-chloro-2-methyl-3-(2-methylphenyl)-4-oxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamideKI54000 nM
4-chloro-2-[(furan-2-ylmethyl)amino]-5-sulfamoylbenzoic acidIC50125000 nM
4-cyanophenolKI131000 nM
2,5-difluorophenolKI134000 nM
4-aminophenolKI159000 nM
benzene-1,3-diolKI795000 nM
1,2-Dihydroxybenzene, XIKI4e+06 nM

ChEMBL bioactivities

860 potent at pChembl≥5 of 894 total, top 50 by pChembl (potency: 10 = 0.1 nM, 6 = 1 µM).

pChemblTypeValueUnitMolecule
11.00Ki0.01nMCYANIDE
11.00Kd0.01nMCHEMBL4446052
10.96Kd0.011nMCHEMBL4555622
10.96Kd0.011nMCHEMBL4444784
10.96Kd0.011nMCHEMBL4555586
10.92Kd0.012nMCHEMBL4463683
10.80Kd0.016nMCHEMBL4473602
10.70Ki0.02nMHYDROGEN SULFIDE
10.70Kd0.02nMCHEMBL4551069
10.70Kd0.02nMCHEMBL4451503
10.60Kd0.025nMCHEMBL4539340
10.52Kd0.03nMCHEMBL4578934
10.52Kd0.03nMCHEMBL4569008
10.52Kd0.03nMCHEMBL4456084
10.52Kd0.03nMCHEMBL4444201
10.52Kd0.03nMCHEMBL4588838
10.52Kd0.03nMCHEMBL4515586
10.52Kd0.03nMCHEMBL4450306
10.48Kd0.033nMCHEMBL4560953
10.40Kd0.04nMCHEMBL4543024
10.40Kd0.04nMCHEMBL4451500
10.39Kd0.041nMCHEMBL4567916
10.39Kd0.041nMCHEMBL4449149
10.30Kd0.05nMCHEMBL4562296
10.30Kd0.05nMCHEMBL4573963
10.29Kd0.051nMCHEMBL4443078
10.26Kd0.055nMCHEMBL4587295
10.26Kd0.055nMCHEMBL4558235
10.23Kd0.059nMCHEMBL4474833
10.22Kd0.06nMCHEMBL4165570
10.22Kd0.06nMCHEMBL4450456
10.21Kd0.062nMCHEMBL4461481
10.20Kd0.063nMCHEMBL4577993
10.20Kd0.063nMCHEMBL4558457
10.18Kd0.066nMCHEMBL4465027
10.14Kd0.073nMCHEMBL4553790
10.05Kd0.089nMCHEMBL4458989
10.05Kd0.09nMCHEMBL4465972
10.00Kd0.1nMCHEMBL4583164
9.96Kd0.11nMCHEMBL4166643
9.96Kd0.11nMCHEMBL4437818
9.96Kd0.11nMCHEMBL4441818
9.92Ki0.12nMSULFAMATE
9.92Kd0.12nMCHEMBL4449430
9.92Kd0.12nMCHEMBL4539233
9.89Kd0.13nMCHEMBL4464359
9.85Kd0.14nMCHEMBL4574321
9.85Kd0.14nMCHEMBL4572161
9.80Kd0.16nMCHEMBL4570253
9.80Kd0.16nMCHEMBL4457904

PubChem BioAssay actives

952 with measured affinity, of 1390 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.

CompoundAssayTypeValueUnit
2-benzylsulfanyl-N-butyl-4-chloro-5-sulfamoylbenzamide1520084: Binding affinity to recombinant human carbonic anhydrase 5b expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assaykd<0.0001uM
4-bromo-N-(2-hydroxyethyl)-2-(2-phenylethylsulfanyl)-5-sulfamoylbenzamide1520084: Binding affinity to recombinant human carbonic anhydrase 5b expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assaykd<0.0001uM
4-bromo-N-butyl-2-cyclohexylsulfanyl-5-sulfamoylbenzamide1520084: Binding affinity to recombinant human carbonic anhydrase 5b expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assaykd<0.0001uM
4-bromo-N-butyl-2-(2-phenylethylsulfanyl)-5-sulfamoylbenzamide1520084: Binding affinity to recombinant human carbonic anhydrase 5b expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assaykd<0.0001uM
N-butyl-4-chloro-2-cyclohexylsulfonyl-5-sulfamoylbenzamide1520084: Binding affinity to recombinant human carbonic anhydrase 5b expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assaykd<0.0001uM
2-benzylsulfanyl-4-chloro-N-cyclohexyl-5-sulfamoylbenzamide1520084: Binding affinity to recombinant human carbonic anhydrase 5b expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assaykd<0.0001uM
N-butyl-4-chloro-2-(2-phenylethylsulfanyl)-5-sulfamoylbenzamide1520084: Binding affinity to recombinant human carbonic anhydrase 5b expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assaykd<0.0001uM
methyl 4-[(4-chloro-2-cyclohexylsulfanyl-5-sulfamoylbenzoyl)amino]butanoate1520084: Binding affinity to recombinant human carbonic anhydrase 5b expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assaykd<0.0001uM
N-benzyl-4-chloro-2-cyclohexylsulfanyl-5-sulfamoylbenzamide1520084: Binding affinity to recombinant human carbonic anhydrase 5b expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assaykd<0.0001uM
N-butyl-4-chloro-2-cyclohexylsulfanyl-5-sulfamoylbenzamide1520084: Binding affinity to recombinant human carbonic anhydrase 5b expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assaykd<0.0001uM
4-chloro-N-cyclohexyl-2-cyclohexylsulfanyl-5-sulfamoylbenzamide1520084: Binding affinity to recombinant human carbonic anhydrase 5b expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assaykd<0.0001uM
1-(2-chloro-3,5-dimethyl-4-sulfamoylphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide1515319: Binding affinity to recombinant full length N-terminal His6x-tagged human CA5B expressed in Escherichia coli Rosetta 2 (DE3) assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assaykd<0.0001uM
N-[(E)-benzylideneamino]-1-(2,5-dimethyl-4-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxamide1515319: Binding affinity to recombinant full length N-terminal His6x-tagged human CA5B expressed in Escherichia coli Rosetta 2 (DE3) assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assaykd<0.0001uM
N-(3,5-dimethylpyrazol-1-yl)-1-(3,5-dimethyl-4-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxamide1515319: Binding affinity to recombinant full length N-terminal His6x-tagged human CA5B expressed in Escherichia coli Rosetta 2 (DE3) assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assaykd<0.0001uM
2-benzylsulfanyl-4-chloro-5-sulfamoylbenzamide1520084: Binding affinity to recombinant human carbonic anhydrase 5b expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assaykd<0.0001uM
4-chloro-2-(2-phenylethylsulfanyl)-5-sulfamoylbenzamide1520084: Binding affinity to recombinant human carbonic anhydrase 5b expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assaykd<0.0001uM
N-[(E)-benzylideneamino]-1-(2-chloro-3,5-dimethyl-4-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxamide1515319: Binding affinity to recombinant full length N-terminal His6x-tagged human CA5B expressed in Escherichia coli Rosetta 2 (DE3) assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assaykd<0.0001uM
methyl 1-(2-chloro-3,5-dimethyl-4-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxylate1515319: Binding affinity to recombinant full length N-terminal His6x-tagged human CA5B expressed in Escherichia coli Rosetta 2 (DE3) assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assaykd<0.0001uM
N-[(E)-(4-bromophenyl)methylideneamino]-1-(2-chloro-3,5-dimethyl-4-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxamide1515319: Binding affinity to recombinant full length N-terminal His6x-tagged human CA5B expressed in Escherichia coli Rosetta 2 (DE3) assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assaykd<0.0001uM
3-chloro-4-[4-(3,5-dimethylpyrazole-1-carbonyl)-2-oxopyrrolidin-1-yl]-2,6-dimethylbenzenesulfonamide1515319: Binding affinity to recombinant full length N-terminal His6x-tagged human CA5B expressed in Escherichia coli Rosetta 2 (DE3) assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assaykd<0.0001uM
3-chloro-2,6-dimethyl-4-[2-oxo-4-(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]benzenesulfonamide1515319: Binding affinity to recombinant full length N-terminal His6x-tagged human CA5B expressed in Escherichia coli Rosetta 2 (DE3) assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assaykd<0.0001uM
4-chloro-2-phenylsulfanyl-5-sulfamoylbenzamide1520084: Binding affinity to recombinant human carbonic anhydrase 5b expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assaykd<0.0001uM
4-chloro-2-cyclohexylsulfanyl-5-sulfamoylbenzoic acid1520084: Binding affinity to recombinant human carbonic anhydrase 5b expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assaykd<0.0001uM
1-(2,5-dimethyl-4-sulfamoylphenyl)-N-[(E)-(4-nitrophenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide1515319: Binding affinity to recombinant full length N-terminal His6x-tagged human CA5B expressed in Escherichia coli Rosetta 2 (DE3) assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assaykd<0.0001uM
1-(2-chloro-3,5-dimethyl-4-sulfamoylphenyl)-N-[(E)-(4-nitrophenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide1515319: Binding affinity to recombinant full length N-terminal His6x-tagged human CA5B expressed in Escherichia coli Rosetta 2 (DE3) assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assaykd<0.0001uM
1-(3,5-dimethyl-4-sulfamoylphenyl)-N-[(E)-(4-nitrophenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide1515319: Binding affinity to recombinant full length N-terminal His6x-tagged human CA5B expressed in Escherichia coli Rosetta 2 (DE3) assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assaykd<0.0001uM
4-[4-(3,5-dimethylpyrazole-1-carbonyl)-2-oxopyrrolidin-1-yl]-2,6-dimethylbenzenesulfonamide1515319: Binding affinity to recombinant full length N-terminal His6x-tagged human CA5B expressed in Escherichia coli Rosetta 2 (DE3) assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assaykd<0.0001uM
1-(2-chloro-3,5-dimethyl-4-sulfamoylphenyl)-N-[(E)-(4-chlorophenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide1515319: Binding affinity to recombinant full length N-terminal His6x-tagged human CA5B expressed in Escherichia coli Rosetta 2 (DE3) assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assaykd<0.0001uM
4-chloro-2-(2-phenylethylsulfanyl)-5-sulfamoylbenzoic acid1520084: Binding affinity to recombinant human carbonic anhydrase 5b expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assaykd<0.0001uM
4-chloro-2-cyclohexylsulfanyl-5-sulfamoylbenzamide1520084: Binding affinity to recombinant human carbonic anhydrase 5b expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assaykd<0.0001uM
sulfane238688: Inhibitory activity against human carbonic anhydrase V expressed in Escherichia coliki<0.0001uM
Hydrogen Cyanide238688: Inhibitory activity against human carbonic anhydrase V expressed in Escherichia coliki<0.0001uM
N-benzyl-2,4-dichloro-5-sulfamoylbenzamide1361386: Binding affinity to recombinant N-terminal His6-tagged human carbonic anhydrase 5B (40 to 317 residues) expressed in Escherichia coli Rosetta 2 (DE3) strain assessed as intrinsic Kd in presence of ANS by fluorescent thermal shift assaykd0.0001uM
methyl 4-[(2-benzylsulfanyl-4-chloro-5-sulfamoylbenzoyl)amino]butanoate1520084: Binding affinity to recombinant human carbonic anhydrase 5b expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assaykd0.0001uM
4-bromo-2-cyclohexylsulfanyl-N-(2-hydroxyethyl)-5-sulfamoylbenzamide1520084: Binding affinity to recombinant human carbonic anhydrase 5b expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assaykd0.0001uM
4-bromo-N-butyl-2-phenylsulfanyl-5-sulfamoylbenzamide1520084: Binding affinity to recombinant human carbonic anhydrase 5b expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assaykd0.0001uM
N-butyl-4-chloro-2-phenylsulfanyl-5-sulfamoylbenzamide1520084: Binding affinity to recombinant human carbonic anhydrase 5b expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assaykd0.0001uM
N-benzyl-4-chloro-2-cyclohexylsulfonyl-5-sulfamoylbenzamide1520084: Binding affinity to recombinant human carbonic anhydrase 5b expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assaykd0.0001uM
N-benzyl-4-chloro-2-phenylsulfanyl-5-sulfamoylbenzamide1520084: Binding affinity to recombinant human carbonic anhydrase 5b expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assaykd0.0001uM
4-chloro-2-cyclohexylsulfanyl-N-(2-methoxyethyl)-5-sulfamoylbenzamide1520084: Binding affinity to recombinant human carbonic anhydrase 5b expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assaykd0.0001uM
2-(benzenesulfonyl)-N-butyl-4-chloro-5-sulfamoylbenzamide1520084: Binding affinity to recombinant human carbonic anhydrase 5b expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assaykd0.0001uM
2,4-dibromo-N-butyl-5-sulfamoylbenzamide1361386: Binding affinity to recombinant N-terminal His6-tagged human carbonic anhydrase 5B (40 to 317 residues) expressed in Escherichia coli Rosetta 2 (DE3) strain assessed as intrinsic Kd in presence of ANS by fluorescent thermal shift assaykd0.0001uM
4-chloro-2-(2-phenylethylsulfonyl)-5-sulfamoylbenzamide1520084: Binding affinity to recombinant human carbonic anhydrase 5b expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assaykd0.0001uM
N-[(E)-(4-bromophenyl)methylideneamino]-1-(3,5-dimethyl-4-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxamide1515319: Binding affinity to recombinant full length N-terminal His6x-tagged human CA5B expressed in Escherichia coli Rosetta 2 (DE3) assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assaykd0.0001uM
4-[4-(hydrazinecarbonyl)-2-oxopyrrolidin-1-yl]-2,6-dimethylbenzenesulfonamide1515319: Binding affinity to recombinant full length N-terminal His6x-tagged human CA5B expressed in Escherichia coli Rosetta 2 (DE3) assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assaykd0.0001uM
3-chloro-4-[4-(hydrazinecarbonyl)-2-oxopyrrolidin-1-yl]-2,6-dimethylbenzenesulfonamide1515319: Binding affinity to recombinant full length N-terminal His6x-tagged human CA5B expressed in Escherichia coli Rosetta 2 (DE3) assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assaykd0.0001uM
1-(2-chloro-3,5-dimethyl-4-sulfamoylphenyl)-N-(3,5-dimethylpyrazol-1-yl)-5-oxopyrrolidine-3-carboxamide1515319: Binding affinity to recombinant full length N-terminal His6x-tagged human CA5B expressed in Escherichia coli Rosetta 2 (DE3) assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assaykd0.0001uM
1-[[1-(2-chloro-3,5-dimethyl-4-sulfamoylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylthiourea1515319: Binding affinity to recombinant full length N-terminal His6x-tagged human CA5B expressed in Escherichia coli Rosetta 2 (DE3) assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assaykd0.0001uM
methyl 1-(2,5-dimethyl-4-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxylate1515319: Binding affinity to recombinant full length N-terminal His6x-tagged human CA5B expressed in Escherichia coli Rosetta 2 (DE3) assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assaykd0.0001uM
methyl 4-[(4-chloro-2-phenylsulfanyl-5-sulfamoylbenzoyl)amino]butanoate1520084: Binding affinity to recombinant human carbonic anhydrase 5b expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assaykd0.0001uM

CTD chemical–gene interactions

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

ChemicalActions (top 5)PubMed papers
bisphenol Sdecreases methylation, increases expression2
bisphenol Fincreases expression1
methylmercuric chloridedecreases expression1
triphenyl phosphateaffects expression1
bisphenol Adecreases expression1
diisononyl phthalateincreases methylation1
oryzalindecreases activity, affects binding1
arseniteincreases methylation1
tris(1,3-dichloro-2-propyl)phosphateincreases expression1
butyraldehydedecreases expression1
perfluorooctanoic acidincreases expression1
di-n-butylphosphoric acidaffects expression1
bisphenol Bincreases expression1
bisphenol AFincreases expression1
Sunitinibincreases expression1
Acetazolamideaffects binding, decreases activity1
Air Pollutantsaffects expression, increases abundance1
Arsenicaffects methylation1
Atrazineincreases expression1
Benzo(a)pyreneaffects methylation, decreases methylation1
Dichlorodiphenyl Dichloroethylenedecreases expression1
Estradioldecreases expression1
Folic Aciddecreases expression1
Ozoneaffects expression, increases abundance1
Silicon Dioxideincreases expression1
Tretinoindecreases expression1
Triclosandecreases expression1
Tunicamycinincreases expression1
Valproic Acidincreases expression1
Thapsigarginincreases expression1

ChEMBL screening assays

118 unique, capped per target: 117 binding, 1 admet

Representative assays (with source publication via chembl_document):

Assay IDTypeDescriptionSource paper
CHEMBL3386760BindingInhibition of carbonic anhydrase (unknown origin)Substituted thieno[2,3-b]thiophenes and related congeners: Synthesis, β-glucuronidase inhibition activity, crystal structure, and POM analyses. — Bioorg Med Chem
CHEMBL4406727ADMETInhibition of human recombinant carbonic anhydrase 5B preincubated with enzyme for 1 hr prior to testing by phenol red-based stopped-flow CO2 hydration assayPhenyl(thio)phosphon(amid)ate Benzenesulfonamides as Potent and Selective Inhibitors of Human Carbonic Anhydrases II and VII Counteract Allodynia in a Mouse Model of Oxaliplatin-Induced Neuropathy. — J Med Chem

Clinical trials (associated diseases)

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

No linked Atlas pages yet — the cross-entity mesh grows as the corpus expands.