Reaction Details Report a problem with these data
Target
Carbonic anhydrase 12
Ligand
BDBM50030557
Substrate
n/a
Meas. Tech.
ChEMBL_1282510 (CHEMBL3101063)
Ki
6.8±n/a nM
Citation
 Bozdag, M; Ferraroni, M; Nuti, E; Vullo, D; Rossello, A; Carta, F; Scozzafava, A; Supuran, CT Combining the tail and the ring approaches for obtaining potent and isoform-selective carbonic anhydrase inhibitors: solution and X-ray crystallographic studies. Bioorg Med Chem 22:334-40 (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:
BDBM50030557
Synonyms:
CHEMBL3099282
Type:
Small organic molecule
Emp. Form.:
C13H14N4O5S2
Mol. Mass.:
370.404
SMILES:
Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc1ccc(nc1)S(N)(=O)=O
Structure:
Search PDB for entries with ligand similarity: