Reaction Details  Report a problem with these data
Target
Carbonic anhydrase 4
Ligand
BDBM50049892
Substrate
n/a
Meas. Tech.
ChEMBL_1720746 (CHEMBL4135746)
Ki
8142±n/a nM
Citation
 Kalinin, S; Kopylov, S; Tuccinardi, T; Sapegin, A; Dar'in, D; Angeli, A; Supuran, CT; Krasavin, M Lucky Switcheroo: Dramatic Potency and Selectivity Improvement of Imidazoline Inhibitors of Human Carbonic Anhydrase VII. ACS Med Chem Lett 8:1105-1109 (2017) [PubMed]  Article
Target
Name:
Carbonic anhydrase 4
Synonyms:
CA-IV | CA4 | CAH4_HUMAN | Carbonate dehydratase IV | Carbonic anhydrase | Carbonic anhydrase 4 (CA IV) | Carbonic anhydrase IV (CA IV)
Type:
Enzyme
Mol. Mass.:
35037.98
Organism:
Homo sapiens (Human)
Description:
P22748
Residue:
312
Sequence:
MRMLLALLALSAARPSASAESHWCYEVQAESSNYPCLVPVKWGGNCQKDRQSPINIVTTKAKVDKKLGRFFFSGYDKKQTWTVQNNGHSVMMLLENKASISGGGLPAPYQAKQLHLHWSDLPYKGSEHSLDGEHFAMEMHIVHEKEKGTSRNVKEAQDPEDEIAVLAFLVEAGTQVNEGFQPLVEALSNIPKPEMSTTMAESSLLDLLPKEEKLRHYFRYLGSLTTPTCDEKVVWTVFREPIQLHREQILAFSQKLYYDKEQTVSMKDNVRPLQQLGQRTVIKSGAPGRPLPWALPALLGPMLACLLAGFLR
  
Inhibitor
Name:
BDBM50049892
Synonyms:
CHEMBL3322410
Type:
Small organic molecule
Emp. Form.:
C15H14ClN3O2S
Mol. Mass.:
335.809
SMILES:
NS(=O)(=O)c1ccc(cc1)N1CCN=C1c1ccc(Cl)cc1 |c:14|
Structure:
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