Reaction Details Report a problem with these data
Target
Carbonic anhydrase 12
Ligand
BDBM50513291
Substrate
n/a
Meas. Tech.
ChEMBL_1852931 (CHEMBL4353555)
Ki
8.6±n/a nM
Citation
 Angeli, A; Di Cesare Mannelli, L; Ghelardini, C; Peat, TS; Bartolucci, G; Menicatti, M; Carta, F; Supuran, CT Benzensulfonamides bearing spyrohydantoin moieties act as potent inhibitors of human carbonic anhydrases II and VII and show neuropathic pain attenuating effects. Eur J Med Chem 177:188-197 (2019) [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:
BDBM50513291
Synonyms:
CHEMBL4448793
Type:
Small organic molecule
Emp. Form.:
C24H28N4O5SSe
Mol. Mass.:
563.53
SMILES:
[#6]-[#6]-1-[#6]-[#6]-[#6]C2([#6]-1)[#7]-[#6](=O)-[#7](-[#6]-[#6](=O)-[#7]-c1ccc([Se;v2][#6]-c3ccc(cc3)S([#7])(=O)=O)cc1)-[#6]2=O
Structure:
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