Reaction Details Report a problem with these data
Target
Carbonic anhydrase 12
Ligand
BDBM50334354
Substrate
n/a
Meas. Tech.
ChEMBL_1861380 (CHEMBL4362236)
Ki
4.5±n/a nM
Citation
 El-Azab, AS; Abdel-Aziz, AA; Bua, S; Nocentini, A; AlSaif, NA; Almehizia, AA; Alanazi, MM; Hefnawy, MM; Supuran, CT New anthranilic acid-incorporating N-benzenesulfonamidophthalimides as potent inhibitors of carbonic anhydrases I, II, IX, and XII: Synthesis, in vitro testing, and in silico assessment. Eur J Med Chem 181:0 (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:
BDBM50334354
Synonyms:
4-(3-(4-fluorophenyl)ureido)benzenesulfonamide | 4-{[(4'-Fluorophenyl)carbamoyl]amino}benzenesulfonamide | 4-{[(4-fluorophenyl)carbamoyl]amino}benzenesulfonamide | CHEMBL1615281
Type:
Small organic molecule
Emp. Form.:
C13H12FN3O3S
Mol. Mass.:
309.316
SMILES:
NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1
Structure:
Search PDB for entries with ligand similarity: