Reaction Details Report a problem with these data
Target
Carbonic anhydrase 4
Ligand
BDBM239155
Substrate
n/a
Meas. Tech.
CA Inhibition Assay
pH
7.5±n/a
Temperature
277.15±n/a K
Ki
>2.00e+5±n/a nM
Comments
extracted
Citation
 Bonneau, A; Maresca, A; Winum, JY; Supuran, CT Metronidazole-coumarin conjugates and 3-cyano-7-hydroxy-coumarin act as isoform-selective carbonic anhydrase inhibitors. J Enzyme Inhib Med Chem 28:397-401 (2013) [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:
BDBM239155
Synonyms:
7-O-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4-methylcoumarine (1a)
Type:
Small organic molecule
Emp. Form.:
C16H15N3O5
Mol. Mass.:
329.3074
SMILES:
Cc1ncc(n1CCOc1ccc2c(C)cc(=O)oc2c1)[N+]([O-])=O
Structure:
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