Reaction Details Report a problem with these data
Target
Carbonic anhydrase 12
Ligand
BDBM95979
Substrate
n/a
Meas. Tech.
ChEMBL_1551383 (CHEMBL3762504)
Ki
3.9±n/a nM
Citation
 Carradori, S; Secci, D; De Monte, C; Mollica, A; Ceruso, M; Akdemir, A; Sobolev, AP; Codispoti, R; De Cosmi, F; Guglielmi, P; Supuran, CT A novel library of saccharin and acesulfame derivatives as potent and selective inhibitors of carbonic anhydrase IX and XII isoforms. Bioorg Med Chem 24:1095-105 (2016) [PubMed]  Article 
Target
Name:
Carbonic anhydrase 12
Synonyms:
CA-XII | CA12 | CAH12_HUMAN | Carbonate dehydratase XII | Carbonic anhydrase | Carbonic anhydrase 12 (CA XII) | Carbonic anhydrase XII | Carbonic anhydrase XII (CA XII) | Carbonic anhydrase XII (CAXII) | Tumor antigen HOM-RCC-3.1.3
Type:
Enzyme
Mol. Mass.:
39456.00
Organism:
Homo sapiens (Human)
Description:
Catalytic domain of human cloned isozyme was used in the assay
Residue:
354
Sequence:
MPRRSLHAAAVLLLVILKEQPSSPAPVNGSKWTYFGPDGENSWSKKYPSCGGLLQSPIDLHSDILQYDASLTPLEFQGYNLSANKQFLLTNNGHSVKLNLPSDMHIQGLQSRYSATQLHLHWGNPNDPHGSEHTVSGQHFAAELHIVHYNSDLYPDASTASNKSEGLAVLAVLIEMGSFNPSYDKIFSHLQHVKYKGQEAFVPGFNIEELLPERTAEYYRYRGSLTTPPCNPTVLWTVFRNPVQISQEQLLALETALYCTHMDDPSPREMINNFRQVQKFDERLVYTSFSQVQVCTAAGLSLGIILSLALAGILGICIVVVVSIWLFRRKSIKKGDNKGVIYKPATKMETEAHA
  
Inhibitor
Name:
BDBM95979
Synonyms:
2-[2-(2,4-dichlorophenyl)-2-keto-ethyl]-1,1-diketo-1,2-benzothiazol-3-one | 2-[2-(2,4-dichlorophenyl)-2-oxidanylidene-ethyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one | 2-[2-(2,4-dichlorophenyl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one | MLS001151191 | SMR000688831 | cid_8272034
Type:
Small organic molecule
Emp. Form.:
C15H9Cl2NO4S
Mol. Mass.:
370.207
SMILES:
Clc1ccc(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c(Cl)c1
Structure:
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