Reaction Details Report a problem with these data
Target
Histidinol dehydrogenase
Ligand
BDBM29578
Substrate
n/a
Meas. Tech.
ChEMBL_436509 (CHEMBL904815)
IC50
12±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:
BDBM29578
Synonyms:
isatin Michael acceptor (IMA) analogue, 13a
Type:
Small organic molecule
Emp. Form.:
C22H18N4O3S2
Mol. Mass.:
450.533
SMILES:
O=[#6]1-[#7](-[#6]-c2ccccc2)-c2ccc(cc2\[#6]-1=[#6](/C#N)C#N)S(=O)(=O)[#7]-1-[#6]-[#6]-[#16]-[#6]-[#6]-1
Structure:
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