Reaction Details Report a problem with these data
Target
Carbonic anhydrase 12
Ligand
BDBM50066126
Substrate
n/a
Meas. Tech.
ChEMBL_1465103 (CHEMBL3405435)
Ki
0.720000±n/a nM
Citation
 Carta, F; Di Cesare Mannelli, L; Pinard, M; Ghelardini, C; Scozzafava, A; McKenna, R; Supuran, CT A class of sulfonamide carbonic anhydrase inhibitors with neuropathic pain modulating effects. Bioorg Med Chem 23:1828-40 (2015) [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:
BDBM50066126
Synonyms:
CHEMBL3402966
Type:
Small organic molecule
Emp. Form.:
C13H12N2O5S
Mol. Mass.:
308.31
SMILES:
NS(=O)(=O)c1ccc(OCc2ccc(cc2)[N+]([O-])=O)cc1
Structure:
Search PDB for entries with ligand similarity: