Reaction Details Report a problem with these data
Target
Carbonic anhydrase 4
Ligand
BDBM50454307
Substrate
n/a
Meas. Tech.
ChEMBL_1752574 (CHEMBL4187334)
Kd
3330±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 4
Synonyms:
Carbonic anhydrase 4 (CA IV) | Carbonic anhydrase IV (CA IV) | CA-IV | Carbonate dehydratase IV | CAH4_HUMAN | CA4 | Carbonic anhydrase
Type:
Enzyme
Mol. Mass.:
35037.98
Organism:
Human
Description:
P22748
Residue:
312
Sequence:
MRMLLALLALSAARPSASAESHWCYEVQAESSNYPCLVPVKWGGNCQKDRQSPINIVTTKAKVDKKLGRFFFSGYDKKQTWTVQNNGHSVMMLLENKASISGGGLPAPYQAKQLHLHWSDLPYKGSEHSLDGEHFAMEMHIVHEKEKGTSRNVKEAQDPEDEIAVLAFLVEAGTQVNEGFQPLVEALSNIPKPEMSTTMAESSLLDLLPKEEKLRHYFRYLGSLTTPTCDEKVVWTVFREPIQLHREQILAFSQKLYYDKEQTVSMKDNVRPLQQLGQRTVIKSGAPGRPLPWALPALLGPMLACLLAGFLR
  
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: