Reaction Details Report a problem with these data
Target
Carbonic anhydrase 12
Ligand
BDBM50051103
Substrate
n/a
Meas. Tech.
ChEMBL_1448693 (CHEMBL3372051)
Ki
352±n/a nM
Citation
 D'Ascenzio, M; Carradori, S; Secci, D; Vullo, D; Ceruso, M; Akdemir, A; Supuran, CT Selective inhibition of human carbonic anhydrases by novel amide derivatives of probenecid: synthesis, biological evaluation and molecular modelling studies. Bioorg Med Chem 22:3982-8 (2014) [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:
BDBM50051103
Synonyms:
CHEMBL3311027
Type:
Small organic molecule
Emp. Form.:
C19H23N3O5S
Mol. Mass.:
405.468
SMILES:
CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)Nc1ccccc1[N+]([O-])=O
Structure:
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