Reaction Details Report a problem with these data
Target
Histidinol dehydrogenase
Ligand
BDBM50370977
Substrate
n/a
Meas. Tech.
ChEMBL_436509 (CHEMBL904815)
IC50
70±n/a nM
Citation
 Abdo, MR; Joseph, P; Boigegrain, RA; Liautard, JP; Montero, JL; Köhler, S; Winum, JY Brucella suis histidinol dehydrogenase: synthesis and inhibition studies of a series of substituted benzylic ketones derived from histidine. Bioorg Med Chem 15:4427-33 (2007) [PubMed]  Article 
Target
Name:
Histidinol dehydrogenase
Synonyms:
HISX_BRUSU | hisD
Type:
PROTEIN
Mol. Mass.:
46060.70
Organism:
Brucella suis
Description:
ChEMBL_436509
Residue:
430
Sequence:
MVTTLRQTDPDFEQKFAAFLSGKREVSEDVDRAVREIVDRVRREGDSALLDYSRRFDRIDLEKTGIAVTEAEIDAAFDAAPASTVEALKLARDRIEKHHARQLPKDDRYTDALGVELGSRWTAIEAVGLYVPGGTASYPSSVLMNAMPAKVAGVDRIVMVVPAPDGNLNPLVLVAARLAGVSEIYRVGGAQAIAALAYGTETIRPVAKIVGPGNAYVAAAKRIVFGTVGIDMIAGPSEVLIVADKDNNPDWIAADLLAQAEHDTAAQSILMTNDEAFAHAVEEAVERQLHTLARTETASASWRDFGAVILVKDFEDAIPLANRIAAEHLEIAVADAEAFVPRIRNAGSIFIGGYTPEVIGDYVGGCNHVLPTARSARFSSGLSVLDYMKRTSLLKLGSEQLRALGPAAIEIARAEGLDAHAQSVAIRLNL
  
Inhibitor
Name:
BDBM50370977
Synonyms:
CHEMBL556799
Type:
Small organic molecule
Emp. Form.:
C20H16F5N3O2
Mol. Mass.:
425.352
SMILES:
N[C@@H](Cc1cnc[nH]1)C(=O)Cc1ccc(OCc2c(F)c(F)c(F)c(F)c2F)cc1 |r|
Structure:
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