Reaction Details Report a problem with these data
Target
Carbonic anhydrase 12
Ligand
BDBM50428426
Substrate
n/a
Meas. Tech.
ChEMBL_942127 (CHEMBL2341283)
Ki
7420±n/a nM
Citation
 Davis, RA; Vullo, D; Maresca, A; Supuran, CT; Poulsen, SA Natural product coumarins that inhibit human carbonic anhydrases. Bioorg Med Chem 21:1539-43 (2013) [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:
BDBM50428426
Synonyms:
CHEMBL2334354
Type:
Small organic molecule
Emp. Form.:
C17H12O8
Mol. Mass.:
344.2724
SMILES:
COc1cc2c3c(oc(=O)c4cc(OC)c(OC)c(oc2=O)c34)c1O
Structure:
Search PDB for entries with ligand similarity: