Reaction Details Report a problem with these data
Target
Carbonic anhydrase 12
Ligand
BDBM50504630
Substrate
n/a
Meas. Tech.
ChEMBL_1815684 (CHEMBL4315258)
Ki
73±n/a nM
Citation
 Abo-Ashour, MF; Eldehna, WM; Nocentini, A; Bonardi, A; Bua, S; Ibrahim, HS; Elaasser, MM; Kry?tof, V; Jorda, R; Gratteri, P; Abou-Seri, SM; Supuran, CT 3-Hydrazinoisatin-based benzenesulfonamides as novel carbonic anhydrase inhibitors endowed with anticancer activity: Synthesis, in vitro biological evaluation and in silico insights. Eur J Med Chem 184:0 (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:
BDBM50504630
Synonyms:
CHEMBL4574631
Type:
Small organic molecule
Emp. Form.:
C21H17BrN4O3S
Mol. Mass.:
485.354
SMILES:
NS(=O)(=O)c1ccc(N\N=C2/C(=O)N(Cc3ccccc3)c3ccc(Br)cc23)cc1
Structure:
Search PDB for entries with ligand similarity: