Reaction Details Report a problem with these data
Target
Carbonic anhydrase 12
Ligand
BDBM50454307
Substrate
n/a
Meas. Tech.
ChEMBL_1752580 (CHEMBL4187340)
Kd
2500±n/a nM
Citation
 Čapkauskaitė, E; Zakšauskas, A; Ruibys, V; Linkuvienė, V; Paketurytė, V; Gedgaudas, M; Kairys, V; Matulis, D Benzimidazole design, synthesis, and docking to build selective carbonic anhydrase VA inhibitors. Bioorg Med Chem 26:675-687 (2018) [PubMed]  Article 
Target
Name:
Carbonic anhydrase 12
Synonyms:
CA-XII | Carbonate dehydratase XII | Tumor antigen HOM-RCC-3.1.3 | Carbonic anhydrase 12 (CA XII) | Carbonic anhydrase XII (CAXII) | Carbonic anhydrase XII (CA XII) | CAH12_HUMAN | CA12 | Carbonic anhydrase | Carbonic anhydrase XII
Type:
Enzyme
Mol. Mass.:
39456.00
Organism:
Human
Description:
Catalytic domain of human cloned isozyme was used in the assay
Residue:
354
Sequence:
MPRRSLHAAAVLLLVILKEQPSSPAPVNGSKWTYFGPDGENSWSKKYPSCGGLLQSPIDLHSDILQYDASLTPLEFQGYNLSANKQFLLTNNGHSVKLNLPSDMHIQGLQSRYSATQLHLHWGNPNDPHGSEHTVSGQHFAAELHIVHYNSDLYPDASTASNKSEGLAVLAVLIEMGSFNPSYDKIFSHLQHVKYKGQEAFVPGFNIEELLPERTAEYYRYRGSLTTPPCNPTVLWTVFRNPVQISQEQLLALETALYCTHMDDPSPREMINNFRQVQKFDERLVYTSFSQVQVCTAAGLSLGIILSLALAGILGICIVVVVSIWLFRRKSIKKGDNKGVIYKPATKMETEAHA
  
Inhibitor
Name:
BDBM50454307
Synonyms:
CHEMBL4203615
Type:
Small organic molecule
Emp. Form.:
C17H17ClN2O3S
Mol. Mass.:
364.85
SMILES:
NS(=O)(=O)c1cc(ccc1Cl)C(=O)CN1CCCc2ccccc12
Structure:
Search PDB for entries with ligand similarity: