Reaction Details Report a problem with these data
Target
Carbonic anhydrase 12
Ligand
BDBM50098365
Substrate
n/a
Meas. Tech.
ChEMBL_1505008 (CHEMBL3595790)
Ki
8.2±n/a nM
Citation
 Ibrahim, DA; Lasheen, DS; Zaky, MY; Ibrahim, AW; Vullo, D; Ceruso, M; Supuran, CT; Abou El Ella, DA Design and synthesis of benzothiazole-6-sulfonamides acting as highly potent inhibitors of carbonic anhydrase isoforms I, II, IX and XII. Bioorg Med Chem 23:4989-99 (2015) [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:
BDBM50098365
Synonyms:
CHEMBL3594408
Type:
Small organic molecule
Emp. Form.:
C19H18ClN7O4S3
Mol. Mass.:
540.039
SMILES:
Cc1ccc(OCc2nnc(SCC(=O)Nc3nc4ccc(cc4s3)S(N)(=O)=O)n2N)cc1Cl
Structure:
Search PDB for entries with ligand similarity: