Reaction Details Report a problem with these data
Target
Carbonic anhydrase 12
Ligand
BDBM50028270
Substrate
n/a
Meas. Tech.
ChEMBL_1436193 (CHEMBL3386555)
Ki
9.0±n/a nM
Citation
 Moeker, J; Mahon, BP; Bornaghi, LF; Vullo, D; Supuran, CT; McKenna, R; Poulsen, SA Structural insights into carbonic anhydrase IX isoform specificity of carbohydrate-based sulfamates. J Med Chem 57:8635-45 (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:
BDBM50028270
Synonyms:
CHEMBL3342247
Type:
Small organic molecule
Emp. Form.:
C16H26N2O14S2
Mol. Mass.:
534.513
SMILES:
CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)S(=O)(=O)NCCOS(N)(=O)=O |r|
Structure:
Search PDB for entries with ligand similarity: