Reaction Details Report a problem with these data
Target
Carbonic anhydrase 12
Ligand
BDBM50514574
Substrate
n/a
Meas. Tech.
ChEMBL_1857546 (CHEMBL4358275)
Ki
7.0±n/a nM
Citation
 D'Ascenzio, M; Secci, D; Carradori, S; Zara, S; Guglielmi, P; Cirilli, R; Pierini, M; Poli, G; Tuccinardi, T; Angeli, A; Supuran, CT 1,3-Dipolar Cycloaddition, HPLC Enantioseparation, and Docking Studies of Saccharin/Isoxazole and Saccharin/Isoxazoline Derivatives as Selective Carbonic Anhydrase IX and XII Inhibitors. J Med Chem 63:2470-2488 (2020) [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:
BDBM50514574
Synonyms:
CHEMBL4473283
Type:
Small organic molecule
Emp. Form.:
C18H14N2O5S
Mol. Mass.:
370.379
SMILES:
COc1cccc(c1)-c1cc(CN2C(=O)c3ccccc3S2(=O)=O)on1
Structure:
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