CA13
gene geneOn this page
Also known as CAXIIIFLJ37995MGC59868
Summary
CA13 (carbonic anhydrase 13, HGNC:14914) is a protein-coding gene on chromosome 8q21.2, encoding Carbonic anhydrase 13 (Q8N1Q1). Reversible hydration of carbon dioxide.
Predicted to enable carbonate dehydratase activity. Predicted to be located in intracellular membrane-bounded organelle and myelin sheath. Predicted to be active in cytosol.
Source: NCBI Gene 377677 — RefSeq curated summary.
At a glance
- GWAS associations: 2
- Clinical variants (ClinVar): 49 total
- Druggable target: yes — 26 molecules with ChEMBL bioactivity
- MANE Select transcript:
NM_198584
Identifiers
Gene identifiers
| Field | Value |
|---|---|
| HGNC ID | HGNC:14914 |
| Approved symbol | CA13 |
| Name | carbonic anhydrase 13 |
| Location | 8q21.2 |
| Locus type | gene with protein product |
| Status | Approved |
| Aliases | CAXIII, FLJ37995, MGC59868 |
| Ensembl gene | ENSG00000185015 |
| Ensembl biotype | protein_coding |
| OMIM | 611436 |
| Entrez | 377677 |
Gene structure
Transcript identifiers
Ensembl transcripts: 5 — 3 protein_coding_CDS_not_defined, 1 protein_coding, 1 retained_intron
ENST00000321764, ENST00000517298, ENST00000517831, ENST00000518392, ENST00000522631
RefSeq mRNA: 1 — MANE Select: NM_198584
NM_198584
CCDS: CCDS6236
Canonical transcript exons
ENST00000321764 — 7 exons
| Exon | Start | End |
|---|---|---|
| ENSE00001262816 | 85281230 | 85284073 |
| ENSE00001262826 | 85245458 | 85245865 |
| ENSE00003476011 | 85268472 | 85268627 |
| ENSE00003492504 | 85250740 | 85250937 |
| ENSE00003589183 | 85259421 | 85259539 |
| ENSE00003593544 | 85267902 | 85267964 |
| ENSE00003656212 | 85266608 | 85266703 |
Expression profiles
Bgee: expression breadth ubiquitous, 239 present calls, max score 97.56.
FANTOM5 (CAGE): breadth ubiquitous, TPM avg 7.3835 / max 142.4954, expressed in 1544 samples.
FANTOM5 promoters (8 alternative TSS)
| Promoter ID | TPM avg | Samples expressed |
|---|---|---|
| 89607 | 2.6258 | 892 |
| 89610 | 2.1496 | 912 |
| 89603 | 0.9763 | 532 |
| 89606 | 0.7154 | 372 |
| 89605 | 0.4442 | 166 |
| 89608 | 0.2907 | 101 |
| 89604 | 0.1101 | 50 |
| 89609 | 0.0716 | 42 |
Top tissues by expression
250 total, by Bgee expression score (0-100, higher = more expressed):
| Tissue | Anatomy ID | Expression score | Quality |
|---|---|---|---|
| jejunal mucosa | UBERON:0000399 | 97.56 | gold quality |
| palpebral conjunctiva | UBERON:0001812 | 96.83 | gold quality |
| epithelial cell of pancreas | CL:0000083 | 95.38 | gold quality |
| ileal mucosa | UBERON:0000331 | 95.14 | gold quality |
| esophagus squamous epithelium | UBERON:0006920 | 91.58 | gold quality |
| nasal cavity epithelium | UBERON:0005384 | 90.38 | gold quality |
| amniotic fluid | UBERON:0000173 | 90.22 | gold quality |
| endothelial cell | CL:0000115 | 90.14 | gold quality |
| gingival epithelium | UBERON:0001949 | 90.09 | gold quality |
| upper arm skin | UBERON:0004263 | 89.82 | gold quality |
| duodenum | UBERON:0002114 | 89.61 | gold quality |
| upper leg skin | UBERON:0004262 | 87.96 | gold quality |
| oral cavity | UBERON:0000167 | 87.46 | gold quality |
| gingiva | UBERON:0001828 | 87.28 | gold quality |
| primordial germ cell in gonad | CL:0000670 ∩ UBERON:0000991 | 85.21 | gold quality |
| pancreatic ductal cell | CL:0002079 | 84.74 | gold quality |
| parietal pleura | UBERON:0002400 | 84.14 | gold quality |
| germinal epithelium of ovary | UBERON:0001304 | 83.66 | gold quality |
| epithelium of nasopharynx | UBERON:0001951 | 83.26 | gold quality |
| oocyte | CL:0000023 | 83.18 | gold quality |
| nasal cavity mucosa | UBERON:0001826 | 81.98 | gold quality |
| visceral pleura | UBERON:0002401 | 81.85 | gold quality |
| secondary oocyte | CL:0000655 | 81.15 | gold quality |
| lower esophagus mucosa | UBERON:0035834 | 81.11 | gold quality |
| pylorus | UBERON:0001166 | 80.68 | gold quality |
| pharyngeal mucosa | UBERON:0000355 | 80.10 | gold quality |
| small intestine | UBERON:0002108 | 79.57 | gold quality |
| mucosa of transverse colon | UBERON:0004991 | 79.57 | gold quality |
| parotid gland | UBERON:0001831 | 79.26 | gold quality |
| skin of hip | UBERON:0001554 | 79.25 | gold quality |
Single-cell (SCXA)
Detected in 1 experiment(s), a significant marker in 1.
| Experiment | Marker? | Max mean expression |
|---|---|---|
| E-ANND-3 | yes | 6.24 |
Regulation
Is transcription factor: no
miRNA regulators (miRDB)
118 targeting CA13, 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-4262 | 100.00 | 73.26 | 3931 |
| HSA-MIR-4668-3P | 100.00 | 68.74 | 2635 |
| HSA-MIR-6740-5P | 100.00 | 65.64 | 932 |
| HSA-MIR-8485 | 100.00 | 77.57 | 4731 |
| HSA-MIR-126-5P | 100.00 | 72.71 | 3180 |
| HSA-MIR-3613-3P | 100.00 | 76.36 | 7965 |
| HSA-MIR-4282 | 99.99 | 75.36 | 6408 |
| HSA-MIR-6870-5P | 99.99 | 68.55 | 2115 |
| HSA-MIR-6077 | 99.99 | 68.04 | 2299 |
| HSA-MIR-181A-5P | 99.99 | 72.96 | 2995 |
| HSA-MIR-181B-5P | 99.99 | 72.97 | 2996 |
| HSA-MIR-181C-5P | 99.99 | 72.95 | 2996 |
| HSA-MIR-181D-5P | 99.99 | 73.04 | 2997 |
| HSA-MIR-3692-3P | 99.98 | 70.27 | 2139 |
| HSA-MIR-12136 | 99.98 | 72.81 | 5713 |
| HSA-MIR-568 | 99.98 | 69.86 | 2084 |
| HSA-MIR-4723-5P | 99.97 | 68.70 | 2034 |
| HSA-MIR-5698 | 99.97 | 68.49 | 2029 |
| HSA-MIR-7111-5P | 99.97 | 68.48 | 2062 |
| HSA-MIR-5688 | 99.96 | 73.23 | 4504 |
| HSA-MIR-495-3P | 99.96 | 72.81 | 4197 |
| HSA-MIR-1250-3P | 99.96 | 70.04 | 4038 |
| HSA-MIR-548AA | 99.96 | 70.64 | 3753 |
| HSA-MIR-548AP-3P | 99.96 | 70.64 | 3753 |
| HSA-MIR-548T-3P | 99.96 | 70.64 | 3753 |
| HSA-MIR-651-3P | 99.94 | 73.48 | 5177 |
| HSA-MIR-3143 | 99.93 | 71.96 | 3104 |
| HSA-MIR-4760-3P | 99.93 | 70.50 | 2385 |
| HSA-MIR-218-5P | 99.93 | 72.22 | 2103 |
| HSA-MIR-7-1-3P | 99.91 | 71.53 | 4384 |
Literature-anchored findings (GeneRIF, showing 5)
- a unique and widespread distribution pattern for CA XIII compared with the other cytosolic CA isozymes. May play important physiological roles in several organs (PMID:14600151)
- cytosolic CA I, II, and XIII are downregulated in neoplastic colorectal mucosa compared to normal colorectal mucosa (PMID:15836783)
- Cytosolic carbonic anhydrase XIII may have a role in maintaining the acid-base balance in the kidney and the gastrointestinal and reproductive tracts. [review] (PMID:18336313)
- investigation of residues modulating the catalytic features of one of the least investigated cytosolic isoform, hCA XIII; results showed that residues assisting the formation of an ordered solvent network within the catalytic site as well as those forming a histidine cluster on the protein surface are important to guarantee an efficient proton transfer (PMID:31431090)
- Carbonic anhydrase 13 suppresses bone metastasis in breast cancer. (PMID:33588197)
Cross-species orthologs
18 orthologs
| Organism | Symbol | Gene ID |
|---|---|---|
| danio_rerio | cahz | ENSDARG00000011166 |
| danio_rerio | ca2 | ENSDARG00000014488 |
| mus_musculus | Car13 | ENSMUSG00000027555 |
| rattus_norvegicus | Car13 | ENSRNOG00000021323 |
| 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), CA5B (ENSG00000169239), CA5A (ENSG00000174990), CA8 (ENSG00000178538)
Protein
Protein identifiers
Carbonic anhydrase 13 — Q8N1Q1 (reviewed: Q8N1Q1)
Alternative names: Carbonate dehydratase XIII, Carbonic anhydrase XIII
All UniProt accessions (1): Q8N1Q1
UniProt curated annotations — full annotation on UniProt →
Function. Reversible hydration of carbon dioxide.
Tissue specificity. Expressed in thymus, small intestine, spleen, prostate, ovary, colon and testis.
Activity regulation. Inhibited by acetazolamide.
Similarity. Belongs to the alpha-carbonic anhydrase family.
RefSeq proteins (1): NP_940986* (*=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
Catalyzed reactions (Rhea), 1 shown:
- hydrogencarbonate + H(+) = CO2 + H2O (RHEA:10748)
UniProt features (36 total): strand 15, helix 10, binding site 4, turn 3, chain 1, domain 1, active site 1, sequence variant 1
Structure
Experimental structures (PDB)
18 structures.
| PDB | Method | Resolution (Å) |
|---|---|---|
| 5OGJ | X-RAY DIFFRACTION | 1.06 |
| 4KNN | X-RAY DIFFRACTION | 1.4 |
| 5OHH | X-RAY DIFFRACTION | 1.42 |
| 5LLA | X-RAY DIFFRACTION | 1.5 |
| 5E2N | X-RAY DIFFRACTION | 1.53 |
| 3D0N | X-RAY DIFFRACTION | 1.55 |
| 4QIZ | X-RAY DIFFRACTION | 1.55 |
| 5LLN | X-RAY DIFFRACTION | 1.6 |
| 4QJP | X-RAY DIFFRACTION | 1.62 |
| 4QSJ | X-RAY DIFFRACTION | 1.7 |
| 6G5U | X-RAY DIFFRACTION | 1.7 |
| 9FPV | X-RAY DIFFRACTION | 1.7 |
| 4KNM | X-RAY DIFFRACTION | 1.9 |
| 9FPW | X-RAY DIFFRACTION | 1.9 |
| 4HU1 | X-RAY DIFFRACTION | 1.95 |
| 4QJX | X-RAY DIFFRACTION | 1.95 |
| 3CZV | X-RAY DIFFRACTION | 2 |
| 3DA2 | X-RAY DIFFRACTION | 2.05 |
Predicted structure (AlphaFold)
| Model | pLDDT | Fraction very-high |
|---|---|---|
| AF-Q8N1Q1-F1 | 96.74 | 0.97 |
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 (1): 65 (proton donor/acceptor)
Ligand- & substrate-binding residues (4): 95; 97; 120; 200–201
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: 147 (showing top):
GSE45365_NK_CELL_VS_CD8A_DC_MCMV_INFECTION_DN, GSE45365_NK_CELL_VS_CD8A_DC_UP, GSE45365_NK_CELL_VS_BCELL_UP, GOMF_CARBONATE_DEHYDRATASE_ACTIVITY, MARTINEZ_RB1_TARGETS_UP, MCBRYAN_PUBERTAL_BREAST_4_5WK_DN, WANG_RESPONSE_TO_BEXAROTENE_UP, AACTTT_UNKNOWN, GOMF_HYDRO_LYASE_ACTIVITY, MARTINEZ_RB1_AND_TP53_TARGETS_UP, POS_RESPONSE_TO_HISTAMINE_UP, GAUSSMANN_MLL_AF4_FUSION_TARGETS_D_UP, GEORGES_TARGETS_OF_MIR192_AND_MIR215, YATGNWAAT_OCT_C, KIM_MYCN_AMPLIFICATION_TARGETS_UP
GO Biological Process (0):
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), cytosol (GO:0005829), myelin sheath (GO:0043209)
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 |
|---|---|
| cellular anatomical structure | 3 |
| hydro-lyase activity | 1 |
| transition metal ion binding | 1 |
| binding | 1 |
| catalytic activity | 1 |
| cation binding | 1 |
| intracellular anatomical structure | 1 |
| cytoplasm | 1 |
Protein interactions and networks
STRING
937 interactions, top by confidence (×1000):
| Protein A | Protein B | Partner UniProt | Score |
|---|---|---|---|
| CA13 | CYP24A1 | Q07973 | 848 |
| CA13 | ALB | P02768 | 576 |
| CA13 | TG | P01266 | 535 |
| CA13 | RNASE1 | P07998 | 531 |
| CA13 | FTH1 | P02794 | 501 |
| CA13 | ATRN | O75882 | 448 |
| CA13 | SLC4A4 | Q9Y6R1 | 375 |
| CA13 | PHF24 | Q9UPV7 | 374 |
| CA13 | TMEM59 | Q9BXS4 | 370 |
| CA13 | DGKD | Q16760 | 353 |
| CA13 | UMOD | P07911 | 353 |
| CA13 | MAST2 | Q6P0Q8 | 353 |
| CA13 | STK40 | Q8N2I9 | 353 |
| CA13 | CABIN1 | Q9Y6J0 | 353 |
| CA13 | BLNK | Q8WV28 | 348 |
IntAct
7 interactions, top by confidence:
| A | B | Type | Score |
|---|---|---|---|
| CA13 | CRACR2B | psi-mi:“MI:0915”(physical association) | 0.560 |
| CRTC3 | CA13 | psi-mi:“MI:0915”(physical association) | 0.560 |
| CA13 | CRACR2B | psi-mi:“MI:0915”(physical association) | 0.000 |
| CA13 | CRTC3 | psi-mi:“MI:0915”(physical association) | 0.000 |
BioGRID (7): CA13 (Two-hybrid), CA13 (Two-hybrid), CA13 (Affinity Capture-RNA), CA13 (Affinity Capture-MS), CA13 (Co-fractionation), CA13 (Co-fractionation), CA13 (Protein-peptide)
ESM2 similar proteins: B0BNN3, O76206, P00441, P00445, P00915, P00916, P00917, P00918, P00919, P00920, P00921, P00922, P07450, P07451, P07452, P07630, P13634, P14141, P16015, P27139, P28755, P35217, P43166, P48282, P48284, P60052, P82205, P83299, Q0IIW3, Q1LZA1, Q27504, Q3SZX4, Q42961, Q5S1S4, Q6C662, Q7M316, Q7M317, Q8HXQ0, Q8HXQ1, Q8HXQ2
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
49 variants total. Per-class counts are floors (≥ shown; pagination cap):
| Classification | Count (floor) |
|---|---|
| Pathogenic | 0 |
| Likely pathogenic | 0 |
| Uncertain significance | 32 |
| Likely benign | 2 |
| Benign | 1 |
Top pathogenic / likely-pathogenic (0)
SpliceAI
1262 predictions. Top by Δscore:
| Variant | Effect | Δscore |
|---|---|---|
| 8:85250722:T:TA | acceptor_gain | 1.0000 |
| 8:85250730:T:G | acceptor_gain | 1.0000 |
| 8:85250731:A:AG | acceptor_gain | 1.0000 |
| 8:85250732:T:G | acceptor_gain | 1.0000 |
| 8:85250733:A:AG | acceptor_gain | 1.0000 |
| 8:85250737:A:AG | acceptor_gain | 1.0000 |
| 8:85250737:AAGGT:A | acceptor_loss | 1.0000 |
| 8:85250738:A:G | acceptor_gain | 1.0000 |
| 8:85250739:G:GC | acceptor_loss | 1.0000 |
| 8:85259419:A:AG | acceptor_gain | 1.0000 |
| 8:85259420:G:GT | acceptor_gain | 1.0000 |
| 8:85259420:GTTCT:G | acceptor_gain | 1.0000 |
| 8:85261281:A:AG | acceptor_gain | 1.0000 |
| 8:85261281:ACAT:A | acceptor_gain | 1.0000 |
| 8:85261283:AT:A | acceptor_gain | 1.0000 |
| 8:85261284:T:G | acceptor_gain | 1.0000 |
| 8:85266594:T:G | acceptor_gain | 1.0000 |
| 8:85266605:CAGCT:C | acceptor_loss | 1.0000 |
| 8:85266606:A:AG | acceptor_gain | 1.0000 |
| 8:85266606:AGCT:A | acceptor_loss | 1.0000 |
| 8:85266607:G:GC | acceptor_gain | 1.0000 |
| 8:85266607:GCTC:G | acceptor_gain | 1.0000 |
| 8:85266607:GCTCC:G | acceptor_gain | 1.0000 |
| 8:85266700:ACAG:A | donor_loss | 1.0000 |
| 8:85266701:CAGGT:C | donor_loss | 1.0000 |
| 8:85266702:AGGT:A | donor_loss | 1.0000 |
| 8:85266703:GGTG:G | donor_loss | 1.0000 |
| 8:85266704:G:GC | donor_loss | 1.0000 |
| 8:85266705:T:G | donor_loss | 1.0000 |
| 8:85267892:A:AG | acceptor_gain | 1.0000 |
AlphaMissense
1722 scored. Top likely-pathogenic:
| Variant | Protein change | am_pathogenicity |
|---|---|---|
| 8:85268586:T:A | W210R | 0.986 |
| 8:85268586:T:C | W210R | 0.986 |
| 8:85266680:G:C | A143P | 0.983 |
| 8:85266609:T:C | L119P | 0.982 |
| 8:85250753:G:C | W17C | 0.981 |
| 8:85250753:G:T | W17C | 0.981 |
| 8:85281299:C:A | R247S | 0.981 |
| 8:85250803:T:C | I34T | 0.980 |
| 8:85266656:G:C | A135P | 0.980 |
| 8:85266681:C:A | A143D | 0.980 |
| 8:85281323:C:A | R255S | 0.980 |
| 8:85268535:T:A | W193R | 0.978 |
| 8:85268535:T:C | W193R | 0.978 |
| 8:85268550:T:C | S198P | 0.977 |
| 8:85250908:T:A | V69D | 0.976 |
| 8:85259477:T:A | W98R | 0.976 |
| 8:85259477:T:C | W98R | 0.976 |
| 8:85250803:T:G | I34S | 0.975 |
| 8:85250888:C:A | N62K | 0.975 |
| 8:85250888:C:G | N62K | 0.975 |
| 8:85259505:A:T | E107V | 0.974 |
| 8:85259539:G:C | E118D | 0.974 |
| 8:85259539:G:T | E118D | 0.974 |
| 8:85250751:T:A | W17R | 0.973 |
| 8:85250751:T:C | W17R | 0.973 |
| 8:85259474:C:G | H97D | 0.973 |
| 8:85268548:G:A | G197D | 0.973 |
| 8:85259534:G:C | A117P | 0.972 |
| 8:85281324:G:C | R255P | 0.972 |
| 8:85259509:C:A | H108Q | 0.971 |
dbSNP variants (sampled 300 via entrez): RS1000033976 (8:85244770 A>G), RS1000041156 (8:85257293 T>G), RS1000104442 (8:85259348 G>A,T), RS1000141425 (8:85250023 C>G,T), RS1000142024 (8:85277598 T>G), RS1000149123 (8:85274714 G>C,T), RS1000203349 (8:85274538 T>C), RS1000421999 (8:85278892 CATCTGTA>C), RS1000534456 (8:85275748 A>G), RS1000629537 (8:85267811 TA>T,TAA), RS1000657932 (8:85255324 G>A), RS1000730439 (8:85256951 C>T), RS1000794197 (8:85271577 G>A,T), RS1000884345 (8:85248913 TAGA>T), RS1000903433 (8:85275861 C>T)
Disease associations
OMIM: gene MIM:611436 | disease phenotypes:
GenCC curated gene-disease
Mondo (0):
Orphanet (0):
HPO phenotypes
0 total (0 of 0 shown, HPO-id order):
GWAS associations
2 associations (top):
| Study | Trait | p-value |
|---|---|---|
| GCST002040_1 | Blood trace element (Zn levels) | 6.000000e-12 |
| GCST006585_2472 | Blood protein levels | 4.000000e-07 |
Drugs & pharmacology
Drug and pharmacology data
Is drug target: yes
ChEMBL targets (2): CHEMBL2095180 (PROTEIN FAMILY), CHEMBL3912 (SINGLE PROTEIN)
Molecules with ChEMBL bioactivity
26 molecules (phase ≥1), by development phase (incl. off-target/promiscuous compounds). Patent mentions across the top 20 by phase: 671,587 (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 |
| CHEMBL118 | CELECOXIB | 4 | 112,844 |
| CHEMBL1200471 | PYRITHIONE ZINC | 4 | 24,834 |
| CHEMBL1286 | LEVETIRACETAM | 4 | 13,997 |
| CHEMBL17 | DICHLORPHENAMIDE | 4 | 9,022 |
| CHEMBL18 | ETHOXZOLAMIDE | 4 | 3,042 |
| CHEMBL21 | SULFANILAMIDE | 4 | 153,075 |
| CHEMBL2105581 | VERALIPRIDE | 4 | 1,165 |
| CHEMBL218490 | DORZOLAMIDE | 4 | 10,216 |
| CHEMBL220491 | BRINZOLAMIDE | 4 | 8,355 |
| CHEMBL220492 | TOPIRAMATE | 4 | 35,160 |
| CHEMBL325041 | BORTEZOMIB | 4 | 13,120 |
| CHEMBL406 | INDAPAMIDE | 4 | 16,097 |
| CHEMBL58323 | LACOSAMIDE | 4 | 5,692 |
| CHEMBL865 | VALDECOXIB | 4 | 41,681 |
| CHEMBL902 | FAMOTIDINE | 4 | 66,828 |
| CHEMBL926 | DOBUTAMINE | 4 | 17,095 |
| CHEMBL140 | CURCUMIN | 3 | 93,882 |
| CHEMBL165 | RESVERATROL | 3 | |
| CHEMBL508338 | THIMEROSAL | 3 | |
| CHEMBL251680 | COUMAPHOS | 2 | |
| CHEMBL4297315 | PCI-27483 | 2 | |
| CHEMBL6246 | ELLAGIC ACID | 2 | |
| CHEMBL69759 | SONEPIPRAZOLE | 2 |
PharmGKB: 1 entry (VIP=true, CPIC=false)
GtoPdb / IUPHAR curated pharmacology
(IUPHAR/BPS Guide to Pharmacology — expert-curated)
Target class: enzyme — Carbonic anhydrases
Most potent curated ligand interactions (1 total), top 1:
| Ligand | Action | Affinity | Parameter |
|---|---|---|---|
| acetazolamide | Inhibition | 7.77 | pKi |
Binding affinities (BindingDB)
44 measured of 58 human assays (61 total across all organisms); most potent 44 below. Values come from heterogeneous assays and are not directly comparable.
| Ligand | Measure | Value |
|---|---|---|
| 2-Chloro-4-{[2-(methylthio)-1H-benzimidazol-1-yl]acetyl}-benzenesulfonamide (2j) | KD | 1.67 nM |
| 2-Chloro-4-[(2-propyl-1H-benzimidazol-1-yl)acetyl]benzenesulfonamide (2f) | KD | 2.86 nM |
| 4-[(2-Butyl-1H-benzimidazol-1-yl)acetyl]-2-chlorobenzenesulfonamide (2g) | KD | 3.33 nM |
| 4-{[2-(Methylsulfanyl)-1H-benzimidazol-1-yl]acetyl}benzenesulfonamide (1j) | KD | 3.57 nM |
| 4-[(2-Isopropyl-1H-benzimidazol-1-yl)acetyl]benzenesulfonamide (1h) | KD | 4 nM |
| 2-Chloro-4-[(2-ethyl-1H-benzimidazol-1-yl)acetyl]benzenesulfonamide (2e) | KD | 4.76 nM |
| 2-Chloro-4-[(2-isopropyl-1H-benzimidazol-1-yl)acetyl]benzenesulfonamide (2h) | KD | 5 nM |
| 2-Chloro-4-[(2-methyl-1H-benzimidazol-1-yl)acetyl]benzenesulfonamide (2b) | KD | 5.88 nM |
| 2-Chloro-4-[(2-isobutyl-1H-benzimidazol-1-yl)acetyl]benzenesulfonamide (2i) | KD | 6.67 nM |
| 4-[(2-Propyl-1H-benzimidazol-1-yl)acetyl]benzenesulfonamide (1f) | KD | 7.14 nM |
| 4-{[2-(Hydroxymethyl)-1H-benzimidazol-1-yl]acetyl}benzenesulfonamide (1c) | KD | 8.33 nM |
| 4-[(2-Benzyl-1H-benzimidazol-1-yl)acetyl]-2-chlorobenzenesulfonamide (2d) | KD | 8.33 nM |
| 4-[(2-Ethyl-1H-benzimidazol-1-yl)acetyl]benzenesulfonamide (1e) | KD | 8.33 nM |
| 4-[(2-Isobutyl-1H-benzimidazol-1-yl)acetyl]benzenesulfonamide (1i) | KD | 8.33 nM |
| 4-[(2-Methyl-1H-benzimidazol-1-yl)acetyl]benzenesulfonamide (1b) | KD | 10 nM |
| 2-Chloro-4-{[2-(hydroxymethyl)-1H-benzimidazol-1-yl]acetyl}benzenesulfonamide (2c) | KD | 10 nM |
| 4-[(2-Butyl-1H-benzimidazol-1-yl)acetyl]benzenesulfonamide (1g) | KD | 11.1 nM |
| 4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulfonamide (2a) | KD | 12 nM |
| 4-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (1a) | KD | 33 nM |
| 3-[(2-Isobutyl-1H-benzimidazol-1-yl)acetyl]benzenesulfonamide (3i) | KD | 125 nM |
| 4-[(2-Benzyl-1H-benzimidazol-1-yl)acetyl]benzenesulfonamide (1d) | KD | 143 nM |
| Topiramate, 3 | KI | 250 nM |
| 3-[(2-Butyl-1H-benzimidazol-1-yl)acetyl]benzenesulfonamide (3g) | KD | 667 nM |
| Investigational agent, 5 | KI | 810 nM |
| Investigational agent, 4 | KI | 850 nM |
| 3-[(2-Propyl-1H-benzimidazol-1-yl)acetyl]benzenesulfonamide (3f) | KD | 1000 nM |
| 3-{[2-(Methylthio)-1H-benzimidazol-1-yl]acetyl}benzenesulfonamide (3j) | KD | 1670 nM |
| 3-[(2-Benzyl-1H-benzimidazol-1-yl)acetyl]benzenesulfonamide (3d) | KD | 2500 nM |
| 3-[(2-Isopropyl-1H-benzimidazol-1-yl)acetyl]benzenesulfonamide (3h) | KD | 2500 nM |
| 2-Chloro-5-[(2-isobutyl-1H-benzimidazol-1-yl)acetyl]benzenesulfonamide | KD | 3330 nM |
| 3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (3a) | KD | 4350 nM |
| 2-Chloro-5-[(2-isopropyl-1H-benzimidazol-1-yl)acetyl]benzenesulfonamide | KD | 4540 nM |
| 3-[(2-Ethyl-1H-benzimidazol-1-yl)acetyl]benzenesulfonamide (3e) | KD | 4760 nM |
| 3-{[2-(Hydroxymethyl)-1H-benzimidazol-1-yl]acetyl}benzenesulfonamide (3c) | KD | 5000 nM |
| 2-Chloro-5-{[2-(methylsulfanyl)-1H-benzimidazol-1-yl]acetyl}benzenesulfonamide | KD | 5000 nM |
| 2-Chloro-5-[(2-ethyl-1H-benzimidazol-1-yl)acetyl]benzenesulfonamide | KD | 7140 nM |
| 2-Chloro-5-{[2-(hydroxymethyl)-1H-benzimidazol-1-yl]acetyl}benzenesulfonamide | KD | 7140 nM |
| 5-[(2-Benzyl-1H-benzimidazol-1-yl)acetyl]-2-chlorobenzenesulfonamide | KD | 8330 nM |
| 3-[(2-Methyl-1H-benzimidazol-1-yl)acetyl]benzenesulfonamide (3b) | KD | 9090 nM |
| 4-chloro-N-(2-methyl-2,3-dihydro-1H-indol-1-yl)-3-sulfamoylbenzamide | KD | 10000 nM |
| 2-Chloro-5-[(2-propyl-1H-benzimidazol-1-yl)acetyl]benzenesulfonamide | KD | 10000 nM |
| 5-[(2-Butyl-1H-benzimidazol-1-yl)acetyl]-2-chlorobenzenesulfonamide | KD | 10000 nM |
| 2-Chloro-5-[(2-methyl-1H-benzimidazol-1-yl)acetyl]benzenesulfonamide | KD | 10000 nM |
| 5-(1H-Benzimidazol-1-ylacetyl)-2-chlorobenzenesulfonamide | KD | 11100 nM |
ChEMBL bioactivities
749 potent at pChembl≥5 of 766 total, top 50 by pChembl (potency: 10 = 0.1 nM, 6 = 1 µM).
PubChem BioAssay actives
798 with measured affinity, of 1111 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 |
|---|---|---|---|---|
| 1-(2-chloro-3,5-dimethyl-4-sulfamoylphenyl)-N-(3,5-dimethylpyrazol-1-yl)-5-oxopyrrolidine-3-carboxamide | 1515324: Binding affinity to recombinant human CA13 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay | kd | <0.0001 | uM |
| N-[(E)-benzylideneamino]-1-(2-chloro-3,5-dimethyl-4-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxamide | 1515324: Binding affinity to recombinant human CA13 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 | 1515324: Binding affinity to recombinant human CA13 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 | 1515324: Binding affinity to recombinant human CA13 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 | 1515324: Binding affinity to recombinant human CA13 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay | kd | <0.0001 | uM |
| 4-bromo-N-(2-hydroxyethyl)-2-(2-phenylethylsulfanyl)-5-sulfamoylbenzamide | 1520089: Binding affinity to recombinant human carbonic anhydrase 13 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 | 1520089: Binding affinity to recombinant human carbonic anhydrase 13 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 | 1520089: Binding affinity to recombinant human carbonic anhydrase 13 expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assay | kd | 0.0001 | uM |
| 4-[2-[(4-tert-butyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]benzenesulfonamide | 1469006: Binding affinity to human N-terminal full length His-tagged CA13 (1 to 262 residues) expressed in Escherichia coli BL21(DE3) assessed as intrinsic thermodynamic equilibrium constant at pH 7 by SPR assay | kd | 0.0001 | uM |
| 1-(2-chloro-3,5-dimethyl-4-sulfamoylphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide | 1515324: Binding affinity to recombinant human CA13 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-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pyrrolidin-1-yl]benzenesulfonamide | 1515324: Binding affinity to recombinant human CA13 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay | kd | 0.0001 | uM |
| 4-chloro-2-(2-phenylethylsulfanyl)-5-sulfamoylbenzamide | 1520089: Binding affinity to recombinant human carbonic anhydrase 13 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-(2-chloro-3,5-dimethyl-4-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxamide | 1515324: Binding affinity to recombinant human CA13 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay | kd | 0.0001 | uM |
| 4-chloro-2-cyclohexylsulfanyl-5-sulfamoylbenzoic acid | 1520089: Binding affinity to recombinant human carbonic anhydrase 13 expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assay | kd | 0.0001 | uM |
| 1-(2-bromophenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide | 1515324: Binding affinity to recombinant human CA13 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 | 1515324: Binding affinity to recombinant human CA13 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay | kd | 0.0001 | uM |
| 1-[[1-(3,5-dimethyl-4-sulfamoylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylthiourea | 1515324: Binding affinity to recombinant human CA13 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay | kd | 0.0001 | uM |
| 4-chloro-2-(2-phenylethylsulfanyl)-5-sulfamoylbenzoic acid | 1520089: Binding affinity to recombinant human carbonic anhydrase 13 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 | 1520089: Binding affinity to recombinant human carbonic anhydrase 13 expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assay | kd | 0.0001 | uM |
| 2,3,5,6-tetrafluoro-4-(2-hydroxyethylsulfanyl)benzenesulfonamide | 1469006: Binding affinity to human N-terminal full length His-tagged CA13 (1 to 262 residues) expressed in Escherichia coli BL21(DE3) assessed as intrinsic thermodynamic equilibrium constant at pH 7 by SPR assay | kd | 0.0001 | uM |
| 4-bromo-2-cyclohexylsulfanyl-N-(2-hydroxyethyl)-5-sulfamoylbenzamide | 1520089: Binding affinity to recombinant human carbonic anhydrase 13 expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assay | kd | 0.0002 | uM |
| 2-(benzylamino)-4-chloro-N-(2-hydroxyethyl)-5-sulfamoylbenzamide | 1361391: Binding affinity to recombinant human carbonic anhydrase 13 (1 to 262 residues) expressed in Escherichia coli Rosetta 2 (DE3) strain assessed as intrinsic Kd in presence of ANS by fluorescent thermal shift assay | kd | 0.0002 | uM |
| N-butyl-4-chloro-2-cyclohexylsulfanyl-5-sulfamoylbenzamide | 1520089: Binding affinity to recombinant human carbonic anhydrase 13 expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assay | kd | 0.0002 | uM |
| 4-[2-(benzimidazol-1-yl)acetyl]-2-chlorobenzenesulfonamide | 1469006: Binding affinity to human N-terminal full length His-tagged CA13 (1 to 262 residues) expressed in Escherichia coli BL21(DE3) assessed as intrinsic thermodynamic equilibrium constant at pH 7 by SPR assay | kd | 0.0002 | uM |
| 4-[1-[(2R)-1-(3-azabicyclo[3.2.2]nonan-3-yl)-3-methyl-1-oxobutan-2-yl]triazol-4-yl]benzenesulfonamide | 1557414: Inhibition of carbonic anhydrase (unknown origin) | ki | 0.0002 | uM |
| 3-chloro-4-[4-(hydrazinecarbonyl)-2-oxopyrrolidin-1-yl]-2,6-dimethylbenzenesulfonamide | 1515324: Binding affinity to recombinant human CA13 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay | kd | 0.0002 | uM |
| 4-(2-chloro-3,5-dimethyl-4-sulfamoylanilino)-3-(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)butanoic acid | 1515324: Binding affinity to recombinant human CA13 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay | kd | 0.0002 | uM |
| (2R)-3-phenyl-2-[4-(4-sulfamoylphenyl)triazol-1-yl]-N-(2-thiophen-3-ylethyl)propanamide | 1557414: Inhibition of carbonic anhydrase (unknown origin) | ki | 0.0002 | uM |
| 1-(2,5-dimethyl-4-sulfamoylphenyl)-N-[(E)-(4-nitrophenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide | 1515324: Binding affinity to recombinant human CA13 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay | kd | 0.0002 | uM |
| 1-(2-chloro-3,5-dimethyl-4-sulfamoylphenyl)-N-[(E)-(4-chlorophenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide | 1515324: Binding affinity to recombinant human CA13 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay | kd | 0.0002 | uM |
| 4-nitrobenzenesulfonamide | 50173: Compound was evaluated for the inhibition of Carbonic anhydrase | ki | 0.0002 | uM |
| (2R)-N-benzyl-3-methyl-2-[4-(4-sulfamoylphenyl)triazol-1-yl]butanamide | 1557414: Inhibition of carbonic anhydrase (unknown origin) | ki | 0.0002 | uM |
| 2,3,5,6-tetrafluoro-4-(2-phenylethylsulfanyl)benzenesulfonamide | 732709: Binding affinity to human recombinant CA13 at 37 degC and pH 7.0 by thermal shift assay | kd | 0.0002 | uM |
| 2-chloro-4-(2-pyrimidin-2-ylsulfanylacetyl)benzenesulfonamide | 1469006: Binding affinity to human N-terminal full length His-tagged CA13 (1 to 262 residues) expressed in Escherichia coli BL21(DE3) assessed as intrinsic thermodynamic equilibrium constant at pH 7 by SPR assay | kd | 0.0002 | uM |
| 4-bromo-N-butyl-2-cyclohexylsulfanyl-5-sulfamoylbenzamide | 1520089: Binding affinity to recombinant human carbonic anhydrase 13 expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assay | kd | 0.0003 | uM |
| N-butyl-4-chloro-2-cyclohexylsulfonyl-5-sulfamoylbenzamide | 1520089: Binding affinity to recombinant human carbonic anhydrase 13 expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assay | kd | 0.0003 | uM |
| 4-chloro-2-cyclohexylsulfanyl-N-(2-hydroxyethyl)-5-sulfamoylbenzamide | 1520089: Binding affinity to recombinant human carbonic anhydrase 13 expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assay | kd | 0.0003 | uM |
| 4-chloro-2-cyclohexylsulfanyl-N-(2-methoxyethyl)-5-sulfamoylbenzamide | 1520089: Binding affinity to recombinant human carbonic anhydrase 13 expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assay | kd | 0.0003 | uM |
| 4-bromo-N-butyl-2-cyclohexylsulfonyl-5-sulfamoylbenzamide | 1520089: Binding affinity to recombinant human carbonic anhydrase 13 expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assay | kd | 0.0003 | uM |
| 4-chloro-2-(cyclooctylamino)-5-sulfamoylbenzoic acid | 1361391: Binding affinity to recombinant human carbonic anhydrase 13 (1 to 262 residues) expressed in Escherichia coli Rosetta 2 (DE3) strain assessed as intrinsic Kd in presence of ANS by fluorescent thermal shift assay | kd | 0.0003 | uM |
| methyl 1-(3,5-dimethyl-4-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxylate | 1515324: Binding affinity to recombinant human CA13 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay | kd | 0.0003 | uM |
| 4-chloro-2-(2-phenylethylsulfonyl)-5-sulfamoylbenzamide | 1520089: Binding affinity to recombinant human carbonic anhydrase 13 expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assay | kd | 0.0003 | uM |
| N-[(E)-benzylideneamino]-1-(2,5-dimethyl-4-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxamide | 1515324: Binding affinity to recombinant human CA13 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay | kd | 0.0003 | uM |
| 1-(2-chloro-3,5-dimethyl-4-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxylic acid | 1515324: Binding affinity to recombinant human CA13 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay | kd | 0.0003 | uM |
| 2-benzylsulfanyl-4-chloro-5-sulfamoylbenzamide | 1520089: Binding affinity to recombinant human carbonic anhydrase 13 expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assay | kd | 0.0003 | uM |
| 4-chloro-2-phenylsulfanyl-5-sulfamoylbenzamide | 1520089: Binding affinity to recombinant human carbonic anhydrase 13 expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assay | kd | 0.0003 | uM |
| 2,6-dimethyl-4-[2-oxo-4-(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]benzenesulfonamide | 1515324: Binding affinity to recombinant human CA13 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay | kd | 0.0003 | uM |
| 4-chlorobenzenesulfonamide | 50173: Compound was evaluated for the inhibition of Carbonic anhydrase | ki | 0.0003 | uM |
| 4-(1,3-benzothiazol-2-ylsulfanyl)-2,3,5,6-tetrafluorobenzenesulfonamide | 732709: Binding affinity to human recombinant CA13 at 37 degC and pH 7.0 by thermal shift assay | kd | 0.0003 | uM |
| 2-benzylsulfanyl-N-butyl-4-chloro-5-sulfamoylbenzamide | 1520089: Binding affinity to recombinant human carbonic anhydrase 13 expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assay | kd | 0.0004 | uM |
CTD chemical–gene interactions
39 total (human), top 30 by PubMed support.
| Chemical | Actions (top 5) | PubMed papers |
|---|---|---|
| Valproic Acid | affects cotreatment, increases expression | 8 |
| Cyclosporine | increases expression | 4 |
| entinostat | affects cotreatment, increases expression | 2 |
| Phenylmercuric Acetate | affects cotreatment, increases expression | 2 |
| Tobacco Smoke Pollution | affects expression, decreases expression | 2 |
| p-Chloromercuribenzoic Acid | affects cotreatment, increases expression | 2 |
| GSK-J4 | decreases expression | 1 |
| methylmercuric chloride | decreases expression | 1 |
| triphenyl phosphate | affects expression | 1 |
| bisphenol A | decreases methylation | 1 |
| oryzalin | affects binding, decreases activity | 1 |
| trichostatin A | increases expression | 1 |
| butyraldehyde | increases expression | 1 |
| nickel sulfate | decreases expression | 1 |
| S-(1,2-dichlorovinyl)cysteine | affects response to substance, increases expression | 1 |
| mercuric bromide | affects cotreatment, increases expression | 1 |
| pentanal | increases expression | 1 |
| 4-(5-benzo(1,3)dioxol-5-yl-4-pyridin-2-yl-1H-imidazol-2-yl)benzamide | affects cotreatment, increases expression | 1 |
| 2,2’,4,4’,5-brominated diphenyl ether | increases expression | 1 |
| abrine | increases expression | 1 |
| dorsomorphin | affects cotreatment, increases expression | 1 |
| jinfukang | affects cotreatment, decreases expression | 1 |
| Panobinostat | affects cotreatment, increases expression | 1 |
| Acetazolamide | affects binding, decreases activity | 1 |
| Arsenic | affects methylation | 1 |
| Benzo(a)pyrene | decreases methylation, increases methylation | 1 |
| Cisplatin | affects cotreatment, decreases expression | 1 |
| Doxorubicin | decreases expression | 1 |
| Folic Acid | decreases expression | 1 |
| Gold | decreases expression | 1 |
ChEMBL screening assays
96 unique, capped per target: 93 binding, 3 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 |
| CHEMBL4187341 | ADMET | Binding affinity to recombinant human full length N-terminal His-tagged carbonic anhydrase 13 (1 to 262 residues) expressed in Escherichia coli BL21 (DE3) in presence of ANS by fluorescent thermal shift assay | Benzimidazole design, synthesis, and docking to build selective carbonic anhydrase VA inhibitors. — Bioorg Med Chem |
Clinical trials (associated diseases)
0 trials via MONDO — disease-level, not drug-specific.
Related Atlas pages
- Targeted by drugs: Acetazolamide