Reaction Details Report a problem with these data
Target
Carbonic anhydrase 12
Ligand
BDBM50022178
Substrate
n/a
Meas. Tech.
ChEMBL_799274 (CHEMBL1941824)
Ki
8100±n/a nM
Citation
 Touisni, N; Maresca, A; McDonald, PC; Lou, Y; Scozzafava, A; Dedhar, S; Winum, JY; Supuran, CT Glycosyl coumarin carbonic anhydrase IX and XII inhibitors strongly attenuate the growth of primary breast tumors. J Med Chem 54:8271-7 (2011) [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:
BDBM50022178
Synonyms:
4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone | 7-Hydroxy-4-methyl-2-oxo-2H-1-benzopyran | 7-Hydroxy-4-methyl-2-oxo-3-chromene | 7-Hydroxy-4-methyl-2H-1-benzopyran-2-one | 7-Hydroxy-4-methyl-2H-2-one (1) | 7-Hydroxy-4-methylcoumarin | 7-hydroxy-4-methyl-2H-chromen-2-one | CHEMBL12208 | Coumarin derivative, 3b | Imecromone | beta-Methylumbelliferone | cid_5280567
Type:
Small organic molecule
Emp. Form.:
C10H8O3
Mol. Mass.:
176.1687
SMILES:
Cc1cc(=O)oc2cc(O)ccc12
Structure:
Search PDB for entries with ligand similarity: