Reaction Details Report a problem with these data
Target
Carbonic anhydrase 12
Ligand
BDBM50467990
Substrate
n/a
Meas. Tech.
ChEMBL_1797536 (CHEMBL4269653)
Ki
650±n/a nM
Citation
 Meleddu, R; Distinto, S; Cottiglia, F; Angius, R; Gaspari, M; Taverna, D; Melis, C; Angeli, A; Bianco, G; Deplano, S; Fois, B; Del Prete, S; Capasso, C; Alcaro, S; Ortuso, F; Yanez, M; Supuran, CT; Maccioni, E Tuning the Dual Inhibition of Carbonic Anhydrase and Cyclooxygenase by Dihydrothiazole Benzensulfonamides. ACS Med Chem Lett 9:1045-1050 (2018) [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:
BDBM50467990
Synonyms:
CHEMBL4293285
Type:
Small organic molecule
Emp. Form.:
C21H16ClN3O2S2
Mol. Mass.:
441.954
SMILES:
NS(=O)(=O)c1ccc(cc1)\N=c1/scc(-c2ccc(Cl)cc2)n1-c1ccccc1
Structure:
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