Reaction Details Report a problem with these data
Target
Carbonic anhydrase 4
Ligand
BDBM50547697
Substrate
n/a
Meas. Tech.
ChEMBL_2018973 (CHEMBL4672551)
Ki
0.360000±n/a nM
Citation
 Andring, JT; Fouch, M; Akocak, S; Angeli, A; Supuran, CT; Ilies, MA; McKenna, R Structural Basis of Nanomolar Inhibition of Tumor-Associated Carbonic Anhydrase IX: X-Ray Crystallographic and Inhibition Study of Lipophilic Inhibitors with Acetazolamide Backbone. J Med Chem 63:13064-13075 (2020) [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:
BDBM50547697
Synonyms:
CHEMBL4739913
Type:
Small organic molecule
Emp. Form.:
C9H14N4O3S2
Mol. Mass.:
290.362
SMILES:
NS(=O)(=O)c1nnc(NC(=O)C2CCCCC2)s1
Structure:
Search PDB for entries with ligand similarity: