Reaction Details Report a problem with these data
Target
Carbonic anhydrase 12
Ligand
BDBM50524777
Substrate
n/a
Meas. Tech.
ChEMBL_1894753 (CHEMBL4396674)
IC50
170±n/a nM
Citation
 Zaraei, SO; El-Gamal, MI; Shafique, Z; Amjad, ST; Afridi, S; Zaib, S; Anbar, HS; El-Gamal, R; Iqbal, J Sulfonate and sulfamate derivatives possessing benzofuran or benzothiophene nucleus as potent carbonic anhydrase II/IX/XII inhibitors. Bioorg Med Chem 27:3889-3901 (2019) [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:
BDBM50524777
Synonyms:
CHEMBL4452931
Type:
Small organic molecule
Emp. Form.:
C20H20O4S
Mol. Mass.:
356.435
SMILES:
O=S(=O)(Oc1ccc(cc1)-c1ccc2occc2c1)C1CCCCC1
Structure:
Search PDB for entries with ligand similarity: