Reaction Details Report a problem with these data
Target
Histidinol dehydrogenase
Ligand
BDBM50267972
Substrate
n/a
Meas. Tech.
ChEMBL_436509 (CHEMBL904815)
IC50
40±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:
BDBM50267972
Synonyms:
(S)-3-Amino-4-(1H-imidazol-4-yl)-1-phenyl-butan-2-one; dihydrochloride | (S)-3-amino-4-(1H-imidazol-4-yl)-1-phenylbutan-2-one dihydrochloride | CHEMBL500316
Type:
Small organic molecule
Emp. Form.:
C13H15N3O
Mol. Mass.:
229.2777
SMILES:
N[C@@H](Cc1cnc[nH]1)C(=O)Cc1ccccc1 |r|
Structure:
Search PDB for entries with ligand similarity: