Reaction Details Report a problem with these data
Target
Carbonic anhydrase 4
Ligand
BDBM50331835
Substrate
n/a
Meas. Tech.
ChEMBL_2018973 (CHEMBL4672551)
Ki
0.440000±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:
BDBM50331835
Synonyms:
5-(2-methyl-propylamido)-2-sulfamoyl-1,3,4-thiadiazole | CHEMBL1288807
Type:
Small organic molecule
Emp. Form.:
C6H10N4O3S2
Mol. Mass.:
250.299
SMILES:
CC(C)C(=O)Nc1nnc(s1)S(N)(=O)=O
Structure:
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