CA5B
gene geneOn this page
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
| Field | Value |
|---|---|
| HGNC ID | HGNC:1378 |
| Approved symbol | CA5B |
| Name | carbonic anhydrase 5B |
| Location | Xp22.2 |
| Locus type | gene with protein product |
| Status | Approved |
| Ensembl gene | ENSG00000169239 |
| Ensembl biotype | protein_coding |
| OMIM | 300230 |
| Entrez | 11238 |
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
| Exon | Start | End |
|---|---|---|
| ENSE00001160614 | 15776714 | 15776869 |
| ENSE00001160621 | 15775246 | 15775308 |
| ENSE00001160639 | 15772496 | 15772614 |
| ENSE00001278386 | 15782485 | 15788411 |
| ENSE00001703659 | 15738270 | 15738352 |
| ENSE00001780910 | 15764578 | 15764775 |
| ENSE00001785912 | 15774302 | 15774397 |
| ENSE00003633715 | 15749971 | 15750165 |
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 ID | TPM avg | Samples expressed |
|---|---|---|
| 195613 | 6.1397 | 940 |
| 195614 | 1.5560 | 483 |
Top tissues by expression
292 total, by Bgee expression score (0-100, higher = more expressed):
| Tissue | Anatomy ID | Expression score | Quality |
|---|---|---|---|
| calcaneal tendon | UBERON:0003701 | 94.16 | gold quality |
| monocyte | CL:0000576 | 89.14 | gold quality |
| mononuclear cell | CL:0000842 | 89.05 | gold quality |
| leukocyte | CL:0000738 | 88.90 | gold quality |
| tendon | UBERON:0000043 | 88.67 | gold quality |
| granulocyte | CL:0000094 | 86.64 | gold quality |
| adrenal tissue | UBERON:0018303 | 85.29 | gold quality |
| ascending aorta | UBERON:0001496 | 84.69 | gold quality |
| thoracic aorta | UBERON:0001515 | 84.46 | gold quality |
| right coronary artery | UBERON:0001625 | 84.36 | gold quality |
| tibial artery | UBERON:0007610 | 84.19 | gold quality |
| aorta | UBERON:0000947 | 84.18 | gold quality |
| popliteal artery | UBERON:0002250 | 84.18 | gold quality |
| endocervix | UBERON:0000458 | 83.96 | gold quality |
| descending thoracic aorta | UBERON:0002345 | 83.44 | gold quality |
| left ovary | UBERON:0002119 | 83.08 | gold quality |
| type B pancreatic cell | CL:0000169 | 82.84 | gold quality |
| right ovary | UBERON:0002118 | 82.80 | gold quality |
| tendon of biceps brachii | UBERON:0008188 | 82.77 | gold quality |
| left coronary artery | UBERON:0001626 | 82.67 | gold quality |
| olfactory bulb | UBERON:0002264 | 82.55 | gold quality |
| ectocervix | UBERON:0012249 | 82.47 | gold quality |
| smooth muscle tissue | UBERON:0001135 | 82.46 | gold quality |
| coronary artery | UBERON:0001621 | 81.85 | gold quality |
| primordial germ cell in gonad | CL:0000670 ∩ UBERON:0000991 | 81.74 | gold quality |
| islet of Langerhans | UBERON:0000006 | 81.61 | gold quality |
| gall bladder | UBERON:0002110 | 81.52 | gold quality |
| male germ line stem cell (sensu Vertebrata) in testis | CL:0000089 ∩ UBERON:0000473 | 81.31 | gold quality |
| stromal cell of endometrium | CL:0002255 | 80.95 | gold quality |
| skin of leg | UBERON:0001511 | 80.87 | gold quality |
Single-cell (SCXA)
Detected in 1 experiment(s), a significant marker in 1.
| Experiment | Marker? | Max mean expression |
|---|---|---|
| E-ANND-3 | yes | 8.86 |
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):
| miRNA | Max score | Avg score | miRNA target_count |
|---|---|---|---|
| HSA-MIR-3613-3P | 100.00 | 76.36 | 7965 |
| HSA-MIR-4455 | 100.00 | 65.48 | 1587 |
| HSA-MIR-3163 | 100.00 | 77.23 | 8605 |
| HSA-MIR-574-5P | 100.00 | 66.01 | 989 |
| HSA-MIR-200B-3P | 100.00 | 73.31 | 2693 |
| HSA-MIR-200C-3P | 100.00 | 73.35 | 2685 |
| HSA-MIR-429 | 100.00 | 73.44 | 2698 |
| HSA-MIR-6833-3P | 100.00 | 70.63 | 3197 |
| HSA-MIR-4533 | 100.00 | 69.48 | 2758 |
| HSA-MIR-126-5P | 100.00 | 72.71 | 3180 |
| HSA-MIR-4768-5P | 100.00 | 69.49 | 2861 |
| HSA-MIR-5692A | 100.00 | 74.40 | 6850 |
| HSA-MIR-371B-5P | 99.99 | 75.34 | 4759 |
| HSA-MIR-186-5P | 99.99 | 70.83 | 3707 |
| HSA-MIR-520G-5P | 99.99 | 66.76 | 658 |
| HSA-MIR-373-5P | 99.98 | 75.36 | 4753 |
| HSA-MIR-616-5P | 99.98 | 75.58 | 4775 |
| HSA-MIR-4775 | 99.98 | 75.00 | 6394 |
| HSA-MIR-4803 | 99.98 | 71.99 | 3117 |
| HSA-MIR-568 | 99.98 | 69.86 | 2084 |
| HSA-MIR-548P | 99.98 | 72.25 | 3784 |
| HSA-MIR-1250-3P | 99.96 | 70.04 | 4038 |
| HSA-MIR-493-5P | 99.96 | 72.47 | 2382 |
| HSA-MIR-1468-3P | 99.96 | 72.74 | 3797 |
| HSA-MIR-590-3P | 99.96 | 74.34 | 6478 |
| HSA-MIR-3910 | 99.95 | 71.13 | 2227 |
| HSA-MIR-10527-5P | 99.91 | 72.28 | 3754 |
| HSA-MIR-5680 | 99.91 | 69.83 | 3421 |
| HSA-MIR-3686 | 99.90 | 70.53 | 2432 |
| HSA-MIR-627-3P | 99.90 | 71.42 | 3316 |
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
| Organism | Symbol | Gene ID |
|---|---|---|
| danio_rerio | ca5a | ENSDARG00000101778 |
| mus_musculus | Car5b | ENSMUSG00000031373 |
| rattus_norvegicus | Car5b | ENSRNOG00000029330 |
| drosophila_melanogaster | CAH13 | FBGN0033542 |
| drosophila_melanogaster | CAH14 | FBGN0034554 |
| drosophila_melanogaster | CAH15 | FBGN0034560 |
| drosophila_melanogaster | CAH7 | FBGN0037788 |
| drosophila_melanogaster | CAH8 | FBGN0038956 |
| drosophila_melanogaster | CAH4 | FBGN0039235 |
| drosophila_melanogaster | CAH9 | FBGN0039486 |
| drosophila_melanogaster | CAH6 | FBGN0039838 |
| drosophila_melanogaster | CAH16 | FBGN0040628 |
| drosophila_melanogaster | CAH5 | FBGN0040629 |
| drosophila_melanogaster | CARPB | FBGN0052698 |
| caenorhabditis_elegans | WBGENE00000279 | |
| caenorhabditis_elegans | WBGENE00000283 | |
| caenorhabditis_elegans | cah-6 | WBGENE00000284 |
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, mitochondrial — Q9Y2D0 (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)
| ID | Name | Type |
|---|---|---|
| IPR001148 | CA_dom | Domain |
| IPR018338 | Carbonic_anhydrase_a-class_CS | Conserved_site |
| IPR023561 | Carbonic_anhydrase_a-class | Family |
| IPR036398 | CA_dom_sf | Homologous_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.
| Substrate | Km (mM) | Measurements |
|---|---|---|
| CO2 | 0.012–4700 | 194 |
| 4-NITROPHENYL ACETATE | 0.0024–30.53 | 16 |
| H2CO3 | 0.434–112.7 | 16 |
| HCO3- | 9.3–37 | 4 |
| P-NITROPHENYL ACETATE | 3.86–6.8 | 4 |
| 4-NITROPHENYL PHOSPHATE | 0.935–2.195 | 2 |
| COS | 1.86 | 1 |
| HISTAMINE | 7.9 | 1 |
| CS2 | — | 0 |
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)
| Model | pLDDT | Fraction very-high |
|---|---|---|
| AF-Q9Y2D0-F1 | 83.33 | 0.74 |
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
| ID | Pathway |
|---|---|
| R-HSA-1475029 | Reversible hydration of carbon dioxide |
| R-HSA-1430728 | Metabolism |
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:
| Category | Pathways |
|---|---|
| Metabolism | 1 |
GO top-level categories
Rollup of top GO terms by namespace:
| Category | Terms |
|---|---|
| response to other organism | 1 |
| hydro-lyase activity | 1 |
| transition metal ion binding | 1 |
| binding | 1 |
| catalytic activity | 1 |
| cation binding | 1 |
| intracellular anatomical structure | 1 |
| cellular anatomical structure | 1 |
| cytoplasm | 1 |
| intracellular membrane-bounded organelle | 1 |
| mitochondrion | 1 |
| intracellular organelle lumen | 1 |
Protein interactions and networks
STRING
1270 interactions, top by confidence (×1000):
| Protein A | Protein B | Partner UniProt | Score |
|---|---|---|---|
| CA5B | CYP24A1 | Q07973 | 870 |
| CA5B | ALB | P02768 | 556 |
| CA5B | TG | P01266 | 540 |
| CA5B | RNASE1 | P07998 | 533 |
| CA5B | FTH1 | P02794 | 508 |
| CA5B | ATRN | O75882 | 475 |
| CA5B | MOSPD2 | Q8NHP6 | 473 |
| CA5B | AP1S2 | P56377 | 437 |
| CA5B | ASB9 | Q96DX5 | 427 |
| CA5B | SYAP1 | Q96A49 | 403 |
| CA5B | SLC4A4 | Q9Y6R1 | 393 |
| CA5B | TBC1D8 | O95759 | 380 |
| CA5B | TMEM59 | Q9BXS4 | 375 |
| CA5B | BLNK | Q8WV28 | 358 |
| CA5B | MAGEB17 | A8MXT2 | 358 |
IntAct
2 interactions, top by confidence:
| A | B | Type | Score |
|---|---|---|---|
| CA5B | DBT | psi-mi:“MI:0915”(physical association) | 0.560 |
| CA5B | DBT | psi-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):
| Classification | Count (floor) |
|---|---|
| Pathogenic | 0 |
| Likely pathogenic | 0 |
| Uncertain significance | 46 |
| Likely benign | 2 |
| Benign | 0 |
Top pathogenic / likely-pathogenic (0)
SpliceAI
1769 predictions. Top by Δscore:
| Variant | Effect | Δscore |
|---|---|---|
| X:15738351:AGG:A | donor_loss | 1.0000 |
| X:15738352:GGTA:G | donor_loss | 1.0000 |
| X:15738353:GT:G | donor_loss | 1.0000 |
| X:15750162:GCCT:G | donor_gain | 1.0000 |
| X:15774039:G:GT | donor_gain | 1.0000 |
| X:15774290:AT:A | acceptor_gain | 1.0000 |
| X:15774291:T:G | acceptor_gain | 1.0000 |
| X:15774291:T:TA | acceptor_gain | 1.0000 |
| X:15774299:CAGCT:C | acceptor_loss | 1.0000 |
| X:15774300:A:AG | acceptor_gain | 1.0000 |
| X:15774301:G:GG | acceptor_gain | 1.0000 |
| X:15774301:GCT:G | acceptor_gain | 1.0000 |
| X:15774301:GCTGC:G | acceptor_gain | 1.0000 |
| X:15774393:TAAAG:T | donor_loss | 1.0000 |
| X:15774394:AAAG:A | donor_loss | 1.0000 |
| X:15774395:AAGG:A | donor_loss | 1.0000 |
| X:15774396:AGGTA:A | donor_loss | 1.0000 |
| X:15774397:GG:G | donor_loss | 1.0000 |
| X:15774399:T:A | donor_loss | 1.0000 |
| X:15775245:GCTA:G | acceptor_gain | 1.0000 |
| X:15776868:AGGT:A | donor_loss | 1.0000 |
| X:15776870:GT:G | donor_loss | 1.0000 |
| X:15776871:T:A | donor_loss | 1.0000 |
| X:15782479:TTCTA:T | acceptor_loss | 1.0000 |
| X:15782480:TCTA:T | acceptor_loss | 1.0000 |
| X:15782482:TAGC:T | acceptor_loss | 1.0000 |
| X:15782483:A:AG | acceptor_gain | 1.0000 |
| X:15782483:AG:A | acceptor_loss | 1.0000 |
| X:15782484:G:GA | acceptor_gain | 1.0000 |
| X:15782484:GCT:G | acceptor_gain | 1.0000 |
AlphaMissense
2078 scored. Top likely-pathogenic:
| Variant | Protein change | am_pathogenicity |
|---|---|---|
| X:15772549:C:G | H132D | 1.000 |
| X:15772552:T:A | W133R | 1.000 |
| X:15772552:T:C | W133R | 1.000 |
| X:15776789:G:T | G232W | 1.000 |
| X:15776790:G:A | G232E | 1.000 |
| X:15776828:T:A | W245R | 1.000 |
| X:15776828:T:C | W245R | 1.000 |
| X:15782585:T:A | V292D | 1.000 |
| X:15764632:C:A | P66H | 0.999 |
| X:15772543:C:G | H130D | 0.999 |
| X:15772551:C:A | H132Q | 0.999 |
| X:15772551:C:G | H132Q | 0.999 |
| X:15772554:G:C | W133C | 0.999 |
| X:15772554:G:T | W133C | 0.999 |
| X:15772555:G:T | G134W | 0.999 |
| X:15772580:A:T | E142V | 0.999 |
| X:15774303:T:C | L154P | 0.999 |
| X:15776777:T:A | W228R | 0.999 |
| X:15776777:T:C | W228R | 0.999 |
| X:15776789:G:A | G232R | 0.999 |
| X:15776789:G:C | G232R | 0.999 |
| X:15776790:G:T | G232V | 0.999 |
| X:15776792:T:C | S233P | 0.999 |
| X:15776796:T:C | L234P | 0.999 |
| X:15782550:C:A | N280K | 0.999 |
| X:15782550:C:G | N280K | 0.999 |
| X:15782551:T:C | F281L | 0.999 |
| X:15782553:C:A | F281L | 0.999 |
| X:15782553:C:G | F281L | 0.999 |
| X:15782554:C:A | R282S | 0.999 |
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).
| Molecule | Name | Phase | Patents |
|---|---|---|---|
| CHEMBL19 | METHAZOLAMIDE | 4 | 65 |
| CHEMBL20 | ACETAZOLAMIDE | 4 | 28,768 |
| CHEMBL750 | ZONISAMIDE | 4 | 16,649 |
| CHEMBL18 | ETHOXZOLAMIDE | 4 | 3,042 |
| CHEMBL220492 | TOPIRAMATE | 4 | 35,160 |
| CHEMBL1054 | TRICHLORMETHIAZIDE | 4 | 11,619 |
| CHEMBL1055 | CHLORTHALIDONE | 4 | 20,442 |
| CHEMBL118 | CELECOXIB | 4 | 112,844 |
| CHEMBL1200471 | PYRITHIONE ZINC | 4 | 24,834 |
| CHEMBL1286 | LEVETIRACETAM | 4 | 13,997 |
| CHEMBL17 | DICHLORPHENAMIDE | 4 | 9,022 |
| CHEMBL21 | SULFANILAMIDE | 4 | 153,075 |
| CHEMBL2105581 | VERALIPRIDE | 4 | 1,165 |
| CHEMBL218490 | DORZOLAMIDE | 4 | 10,216 |
| CHEMBL220491 | BRINZOLAMIDE | 4 | 8,355 |
| CHEMBL255863 | NILOTINIB | 4 | 38,627 |
| CHEMBL26 | SULPIRIDE | 4 | 58,543 |
| CHEMBL325041 | BORTEZOMIB | 4 | 13,120 |
| CHEMBL35 | FUROSEMIDE | 4 | 224,045 |
| CHEMBL406 | INDAPAMIDE | 4 | 16,097 |
| CHEMBL419 | MAFENIDE | 4 | |
| CHEMBL537 | HYDROQUINONE | 4 | |
| CHEMBL58323 | LACOSAMIDE | 4 | |
| CHEMBL609 | TRIENTINE | 4 | |
| CHEMBL6466 | COUMARIN | 4 | |
| CHEMBL865 | VALDECOXIB | 4 | |
| CHEMBL902 | FAMOTIDINE | 4 | |
| CHEMBL926 | DOBUTAMINE | 4 | |
| CHEMBL941 | IMATINIB | 4 | |
| CHEMBL1352 | NITRIC ACID | 3 |
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.
| Ligand | Measure | Value |
|---|---|---|
| 3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid | EC50 | 0.0469 nM |
| (4S)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-2H,3H,4H-1,7,2-thieno[3,2-e][1,2]thiazine-6-sulfonamide | KI | 3 nM |
| aliphatic sulfamate, 1 | KI | 3.7 nM |
| cid_694792 | KI | 60 nM |
| sulfonamide deriv., 7c | KI | 60 nM |
| sulfonamide deriv., 5a | KI | 61 nM |
| sulfonamide deriv., 7e | KI | 61 nM |
| sulfonamide deriv., 8 | KI | 63 nM |
| sulfonamide deriv., 7d | KI | 67 nM |
| sulfonamide deriv., 5f | KI | 68 nM |
| sulfonamide deriv., 7h | KI | 71 nM |
| sulfonamide deriv., 6 | KI | 72 nM |
| sulfonamide deriv., 7i | KI | 73 nM |
| sulfonamide deriv., 7b | KI | 75 nM |
| sulfonamide deriv., 7g | KI | 75 nM |
| sulfonamide deriv., 5c | KI | 77 nM |
| sulfonamide deriv., 5d | KI | 84 nM |
| 2-(hydrazinecarbonyl)-3-(2-methylphenyl)-1H-indole-5-sulfonamide | KI | 107 nM |
| sulfonamide deriv., 7a | KI | 108 nM |
| 3-(2-bromophenyl)-2-(hydrazinecarbonyl)-1H-indole-5-sulfonamide | KI | 110 nM |
| sulfonamide deriv., 5b | KI | 161 nM |
| Topiramate, 3 | KI | 250 nM |
| sulfonamide deriv., 7f | KI | 263 nM |
| 6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-3-yl sulfamate | IC50 | 300 nM |
| JFD00715 | KI | 328 nM |
| trichloromethiazide, 6 | KI | 345 nM |
| bis-sulfamate, 3 | KI | 378 nM |
| aliphatic sulfamate, 2 | KI | 530 nM |
| 3-(2-fluorophenyl)-2-(hydrazinecarbonyl)-1H-indole-5-sulfonamide | KI | 621 nM |
| Investigational agent, 5 | KI | 810 nM |
| Investigational agent, 4 | KI | 850 nM |
| bis-sulfamate, 4 | KI | 890 nM |
| 1,3,4-Thiadiazole-2-sulfonamide, 6 | IC50 | 2700 nM |
| BMCL182567 Compound 6b | KI | 2840 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}sulfonamide | KI | 3450 nM |
| [2-(cycloheptylmethyl)-1,1-dioxo–benzothiophen-6-yl] sulfamate | KI | 3600 nM |
| salicylic acid | KI | 9900 nM |
| 4-chloro-N-(2-methyl-2,3-dihydro-1H-indol-1-yl)-3-sulfamoylbenzamide | KD | 10000 nM |
| phenol | KI | 10200 nM |
| 4-methylbenzene-1-sulfonamide | IC50 | 22100 nM |
| 3,5-difluorophenol | KI | 38800 nM |
| Dorzolamide, DZA | KI | 50000 nM |
| 7-chloro-2-methyl-3-(2-methylphenyl)-4-oxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide | KI | 54000 nM |
| 4-chloro-2-[(furan-2-ylmethyl)amino]-5-sulfamoylbenzoic acid | IC50 | 125000 nM |
| 4-cyanophenol | KI | 131000 nM |
| 2,5-difluorophenol | KI | 134000 nM |
| 4-aminophenol | KI | 159000 nM |
| benzene-1,3-diol | KI | 795000 nM |
| 1,2-Dihydroxybenzene, XI | KI | 4e+06 nM |
ChEMBL bioactivities
860 potent at pChembl≥5 of 894 total, top 50 by pChembl (potency: 10 = 0.1 nM, 6 = 1 µM).
| pChembl | Type | Value | Unit | Molecule |
|---|---|---|---|---|
| 11.00 | Ki | 0.01 | nM | CYANIDE |
| 11.00 | Kd | 0.01 | nM | CHEMBL4446052 |
| 10.96 | Kd | 0.011 | nM | CHEMBL4555622 |
| 10.96 | Kd | 0.011 | nM | CHEMBL4444784 |
| 10.96 | Kd | 0.011 | nM | CHEMBL4555586 |
| 10.92 | Kd | 0.012 | nM | CHEMBL4463683 |
| 10.80 | Kd | 0.016 | nM | CHEMBL4473602 |
| 10.70 | Ki | 0.02 | nM | HYDROGEN SULFIDE |
| 10.70 | Kd | 0.02 | nM | CHEMBL4551069 |
| 10.70 | Kd | 0.02 | nM | CHEMBL4451503 |
| 10.60 | Kd | 0.025 | nM | CHEMBL4539340 |
| 10.52 | Kd | 0.03 | nM | CHEMBL4578934 |
| 10.52 | Kd | 0.03 | nM | CHEMBL4569008 |
| 10.52 | Kd | 0.03 | nM | CHEMBL4456084 |
| 10.52 | Kd | 0.03 | nM | CHEMBL4444201 |
| 10.52 | Kd | 0.03 | nM | CHEMBL4588838 |
| 10.52 | Kd | 0.03 | nM | CHEMBL4515586 |
| 10.52 | Kd | 0.03 | nM | CHEMBL4450306 |
| 10.48 | Kd | 0.033 | nM | CHEMBL4560953 |
| 10.40 | Kd | 0.04 | nM | CHEMBL4543024 |
| 10.40 | Kd | 0.04 | nM | CHEMBL4451500 |
| 10.39 | Kd | 0.041 | nM | CHEMBL4567916 |
| 10.39 | Kd | 0.041 | nM | CHEMBL4449149 |
| 10.30 | Kd | 0.05 | nM | CHEMBL4562296 |
| 10.30 | Kd | 0.05 | nM | CHEMBL4573963 |
| 10.29 | Kd | 0.051 | nM | CHEMBL4443078 |
| 10.26 | Kd | 0.055 | nM | CHEMBL4587295 |
| 10.26 | Kd | 0.055 | nM | CHEMBL4558235 |
| 10.23 | Kd | 0.059 | nM | CHEMBL4474833 |
| 10.22 | Kd | 0.06 | nM | CHEMBL4165570 |
| 10.22 | Kd | 0.06 | nM | CHEMBL4450456 |
| 10.21 | Kd | 0.062 | nM | CHEMBL4461481 |
| 10.20 | Kd | 0.063 | nM | CHEMBL4577993 |
| 10.20 | Kd | 0.063 | nM | CHEMBL4558457 |
| 10.18 | Kd | 0.066 | nM | CHEMBL4465027 |
| 10.14 | Kd | 0.073 | nM | CHEMBL4553790 |
| 10.05 | Kd | 0.089 | nM | CHEMBL4458989 |
| 10.05 | Kd | 0.09 | nM | CHEMBL4465972 |
| 10.00 | Kd | 0.1 | nM | CHEMBL4583164 |
| 9.96 | Kd | 0.11 | nM | CHEMBL4166643 |
| 9.96 | Kd | 0.11 | nM | CHEMBL4437818 |
| 9.96 | Kd | 0.11 | nM | CHEMBL4441818 |
| 9.92 | Ki | 0.12 | nM | SULFAMATE |
| 9.92 | Kd | 0.12 | nM | CHEMBL4449430 |
| 9.92 | Kd | 0.12 | nM | CHEMBL4539233 |
| 9.89 | Kd | 0.13 | nM | CHEMBL4464359 |
| 9.85 | Kd | 0.14 | nM | CHEMBL4574321 |
| 9.85 | Kd | 0.14 | nM | CHEMBL4572161 |
| 9.80 | Kd | 0.16 | nM | CHEMBL4570253 |
| 9.80 | Kd | 0.16 | nM | CHEMBL4457904 |
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.
| Compound | Assay | Type | Value | Unit |
|---|---|---|---|---|
| 2-benzylsulfanyl-N-butyl-4-chloro-5-sulfamoylbenzamide | 1520084: Binding affinity to recombinant human carbonic anhydrase 5b expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assay | kd | <0.0001 | uM |
| 4-bromo-N-(2-hydroxyethyl)-2-(2-phenylethylsulfanyl)-5-sulfamoylbenzamide | 1520084: Binding affinity to recombinant human carbonic anhydrase 5b expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assay | kd | <0.0001 | uM |
| 4-bromo-N-butyl-2-cyclohexylsulfanyl-5-sulfamoylbenzamide | 1520084: Binding affinity to recombinant human carbonic anhydrase 5b expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assay | kd | <0.0001 | uM |
| 4-bromo-N-butyl-2-(2-phenylethylsulfanyl)-5-sulfamoylbenzamide | 1520084: Binding affinity to recombinant human carbonic anhydrase 5b expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assay | kd | <0.0001 | uM |
| N-butyl-4-chloro-2-cyclohexylsulfonyl-5-sulfamoylbenzamide | 1520084: Binding affinity to recombinant human carbonic anhydrase 5b expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assay | kd | <0.0001 | uM |
| 2-benzylsulfanyl-4-chloro-N-cyclohexyl-5-sulfamoylbenzamide | 1520084: Binding affinity to recombinant human carbonic anhydrase 5b expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assay | kd | <0.0001 | uM |
| N-butyl-4-chloro-2-(2-phenylethylsulfanyl)-5-sulfamoylbenzamide | 1520084: Binding affinity to recombinant human carbonic anhydrase 5b expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assay | kd | <0.0001 | uM |
| methyl 4-[(4-chloro-2-cyclohexylsulfanyl-5-sulfamoylbenzoyl)amino]butanoate | 1520084: Binding affinity to recombinant human carbonic anhydrase 5b expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assay | kd | <0.0001 | uM |
| N-benzyl-4-chloro-2-cyclohexylsulfanyl-5-sulfamoylbenzamide | 1520084: Binding affinity to recombinant human carbonic anhydrase 5b expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assay | kd | <0.0001 | uM |
| N-butyl-4-chloro-2-cyclohexylsulfanyl-5-sulfamoylbenzamide | 1520084: Binding affinity to recombinant human carbonic anhydrase 5b expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assay | kd | <0.0001 | uM |
| 4-chloro-N-cyclohexyl-2-cyclohexylsulfanyl-5-sulfamoylbenzamide | 1520084: Binding affinity to recombinant human carbonic anhydrase 5b expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assay | kd | <0.0001 | uM |
| 1-(2-chloro-3,5-dimethyl-4-sulfamoylphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide | 1515319: 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 assay | kd | <0.0001 | uM |
| N-[(E)-benzylideneamino]-1-(2,5-dimethyl-4-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxamide | 1515319: 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 assay | kd | <0.0001 | uM |
| N-(3,5-dimethylpyrazol-1-yl)-1-(3,5-dimethyl-4-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxamide | 1515319: 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 assay | kd | <0.0001 | uM |
| 2-benzylsulfanyl-4-chloro-5-sulfamoylbenzamide | 1520084: Binding affinity to recombinant human carbonic anhydrase 5b expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assay | kd | <0.0001 | uM |
| 4-chloro-2-(2-phenylethylsulfanyl)-5-sulfamoylbenzamide | 1520084: Binding affinity to recombinant human carbonic anhydrase 5b expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assay | kd | <0.0001 | uM |
| N-[(E)-benzylideneamino]-1-(2-chloro-3,5-dimethyl-4-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxamide | 1515319: 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 assay | kd | <0.0001 | uM |
| methyl 1-(2-chloro-3,5-dimethyl-4-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxylate | 1515319: 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 assay | kd | <0.0001 | uM |
| N-[(E)-(4-bromophenyl)methylideneamino]-1-(2-chloro-3,5-dimethyl-4-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxamide | 1515319: 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 assay | kd | <0.0001 | uM |
| 3-chloro-4-[4-(3,5-dimethylpyrazole-1-carbonyl)-2-oxopyrrolidin-1-yl]-2,6-dimethylbenzenesulfonamide | 1515319: 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 assay | kd | <0.0001 | uM |
| 3-chloro-2,6-dimethyl-4-[2-oxo-4-(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]benzenesulfonamide | 1515319: 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 assay | kd | <0.0001 | uM |
| 4-chloro-2-phenylsulfanyl-5-sulfamoylbenzamide | 1520084: Binding affinity to recombinant human carbonic anhydrase 5b expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assay | kd | <0.0001 | uM |
| 4-chloro-2-cyclohexylsulfanyl-5-sulfamoylbenzoic acid | 1520084: Binding affinity to recombinant human carbonic anhydrase 5b expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assay | kd | <0.0001 | uM |
| 1-(2,5-dimethyl-4-sulfamoylphenyl)-N-[(E)-(4-nitrophenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide | 1515319: 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 assay | kd | <0.0001 | uM |
| 1-(2-chloro-3,5-dimethyl-4-sulfamoylphenyl)-N-[(E)-(4-nitrophenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide | 1515319: 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 assay | kd | <0.0001 | uM |
| 1-(3,5-dimethyl-4-sulfamoylphenyl)-N-[(E)-(4-nitrophenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide | 1515319: 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 assay | kd | <0.0001 | uM |
| 4-[4-(3,5-dimethylpyrazole-1-carbonyl)-2-oxopyrrolidin-1-yl]-2,6-dimethylbenzenesulfonamide | 1515319: 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 assay | kd | <0.0001 | uM |
| 1-(2-chloro-3,5-dimethyl-4-sulfamoylphenyl)-N-[(E)-(4-chlorophenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide | 1515319: 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 assay | kd | <0.0001 | uM |
| 4-chloro-2-(2-phenylethylsulfanyl)-5-sulfamoylbenzoic acid | 1520084: Binding affinity to recombinant human carbonic anhydrase 5b expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assay | kd | <0.0001 | uM |
| 4-chloro-2-cyclohexylsulfanyl-5-sulfamoylbenzamide | 1520084: Binding affinity to recombinant human carbonic anhydrase 5b expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assay | kd | <0.0001 | uM |
| sulfane | 238688: Inhibitory activity against human carbonic anhydrase V expressed in Escherichia coli | ki | <0.0001 | uM |
| Hydrogen Cyanide | 238688: Inhibitory activity against human carbonic anhydrase V expressed in Escherichia coli | ki | <0.0001 | uM |
| N-benzyl-2,4-dichloro-5-sulfamoylbenzamide | 1361386: 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 assay | kd | 0.0001 | uM |
| methyl 4-[(2-benzylsulfanyl-4-chloro-5-sulfamoylbenzoyl)amino]butanoate | 1520084: Binding affinity to recombinant human carbonic anhydrase 5b expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assay | kd | 0.0001 | uM |
| 4-bromo-2-cyclohexylsulfanyl-N-(2-hydroxyethyl)-5-sulfamoylbenzamide | 1520084: Binding affinity to recombinant human carbonic anhydrase 5b expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assay | kd | 0.0001 | uM |
| 4-bromo-N-butyl-2-phenylsulfanyl-5-sulfamoylbenzamide | 1520084: Binding affinity to recombinant human carbonic anhydrase 5b expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assay | kd | 0.0001 | uM |
| N-butyl-4-chloro-2-phenylsulfanyl-5-sulfamoylbenzamide | 1520084: Binding affinity to recombinant human carbonic anhydrase 5b expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assay | kd | 0.0001 | uM |
| N-benzyl-4-chloro-2-cyclohexylsulfonyl-5-sulfamoylbenzamide | 1520084: Binding affinity to recombinant human carbonic anhydrase 5b expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assay | kd | 0.0001 | uM |
| N-benzyl-4-chloro-2-phenylsulfanyl-5-sulfamoylbenzamide | 1520084: Binding affinity to recombinant human carbonic anhydrase 5b expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assay | kd | 0.0001 | uM |
| 4-chloro-2-cyclohexylsulfanyl-N-(2-methoxyethyl)-5-sulfamoylbenzamide | 1520084: Binding affinity to recombinant human carbonic anhydrase 5b expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assay | kd | 0.0001 | uM |
| 2-(benzenesulfonyl)-N-butyl-4-chloro-5-sulfamoylbenzamide | 1520084: Binding affinity to recombinant human carbonic anhydrase 5b expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assay | kd | 0.0001 | uM |
| 2,4-dibromo-N-butyl-5-sulfamoylbenzamide | 1361386: 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 assay | kd | 0.0001 | uM |
| 4-chloro-2-(2-phenylethylsulfonyl)-5-sulfamoylbenzamide | 1520084: Binding affinity to recombinant human carbonic anhydrase 5b expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assay | kd | 0.0001 | uM |
| N-[(E)-(4-bromophenyl)methylideneamino]-1-(3,5-dimethyl-4-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxamide | 1515319: 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 assay | kd | 0.0001 | uM |
| 4-[4-(hydrazinecarbonyl)-2-oxopyrrolidin-1-yl]-2,6-dimethylbenzenesulfonamide | 1515319: 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 assay | kd | 0.0001 | uM |
| 3-chloro-4-[4-(hydrazinecarbonyl)-2-oxopyrrolidin-1-yl]-2,6-dimethylbenzenesulfonamide | 1515319: 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 assay | kd | 0.0001 | uM |
| 1-(2-chloro-3,5-dimethyl-4-sulfamoylphenyl)-N-(3,5-dimethylpyrazol-1-yl)-5-oxopyrrolidine-3-carboxamide | 1515319: 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 assay | kd | 0.0001 | uM |
| 1-[[1-(2-chloro-3,5-dimethyl-4-sulfamoylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylthiourea | 1515319: 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 assay | kd | 0.0001 | uM |
| methyl 1-(2,5-dimethyl-4-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxylate | 1515319: 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 assay | kd | 0.0001 | uM |
| methyl 4-[(4-chloro-2-phenylsulfanyl-5-sulfamoylbenzoyl)amino]butanoate | 1520084: Binding affinity to recombinant human carbonic anhydrase 5b expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assay | kd | 0.0001 | uM |
CTD chemical–gene interactions
30 total (human), top 30 by PubMed support.
| Chemical | Actions (top 5) | PubMed papers |
|---|---|---|
| bisphenol S | decreases methylation, increases expression | 2 |
| bisphenol F | increases expression | 1 |
| methylmercuric chloride | decreases expression | 1 |
| triphenyl phosphate | affects expression | 1 |
| bisphenol A | decreases expression | 1 |
| diisononyl phthalate | increases methylation | 1 |
| oryzalin | decreases activity, affects binding | 1 |
| arsenite | increases methylation | 1 |
| tris(1,3-dichloro-2-propyl)phosphate | increases expression | 1 |
| butyraldehyde | decreases expression | 1 |
| perfluorooctanoic acid | increases expression | 1 |
| di-n-butylphosphoric acid | affects expression | 1 |
| bisphenol B | increases expression | 1 |
| bisphenol AF | increases expression | 1 |
| Sunitinib | increases expression | 1 |
| Acetazolamide | affects binding, decreases activity | 1 |
| Air Pollutants | affects expression, increases abundance | 1 |
| Arsenic | affects methylation | 1 |
| Atrazine | increases expression | 1 |
| Benzo(a)pyrene | affects methylation, decreases methylation | 1 |
| Dichlorodiphenyl Dichloroethylene | decreases expression | 1 |
| Estradiol | decreases expression | 1 |
| Folic Acid | decreases expression | 1 |
| Ozone | affects expression, increases abundance | 1 |
| Silicon Dioxide | increases expression | 1 |
| Tretinoin | decreases expression | 1 |
| Triclosan | decreases expression | 1 |
| Tunicamycin | increases expression | 1 |
| Valproic Acid | increases expression | 1 |
| Thapsigargin | increases expression | 1 |
ChEMBL screening assays
118 unique, capped per target: 117 binding, 1 admet
Representative assays (with source publication via chembl_document):
| Assay ID | Type | Description | Source paper |
|---|---|---|---|
| CHEMBL3386760 | Binding | Inhibition 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 |
| CHEMBL4406727 | ADMET | Inhibition of human recombinant carbonic anhydrase 5B preincubated with enzyme for 1 hr prior to testing by phenol red-based stopped-flow CO2 hydration assay | Phenyl(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.
Related Atlas pages
No linked Atlas pages yet — the cross-entity mesh grows as the corpus expands.