Reaction Details Report a problem with these data
Target
Carbonic anhydrase 4
Ligand
BDBM50300203
Substrate
n/a
Meas. Tech.
ChEMBL_592886 (CHEMBL1046631)
Ki
3800±n/a nM
Citation
 Temperini, C; Innocenti, A; Scozzafava, A; Parkkila, S; Supuran, CT The coumarin-binding site in carbonic anhydrase accommodates structurally diverse inhibitors: the antiepileptic lacosamide as an example and lead molecule for novel classes of carbonic anhydrase inhibitors. J Med Chem 53:850-4 (2010) [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:
BDBM50300203
Synonyms:
(S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chromen-2-one | 6-(1S-hydroxy-3-methylbutyl)-7-methoxy-2H-chromen-2-one | CHEMBL572366
Type:
Small organic molecule
Emp. Form.:
C15H18O4
Mol. Mass.:
262.301
SMILES:
COc1cc2oc(=O)ccc2cc1[C@@H](O)CC(C)C |r|
Structure:
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