Reaction Details Report a problem with these data
Target
Hexokinase-1
Ligand
BDBM85423
Substrate
n/a
Meas. Tech.
Enzyme Inhibition Assay
pH
7.6±0
Temperature
298.15±0 K
IC50
3000000±0.0 nM
Citation
 Willson, M; Alric, I; Perie, J; Sanejouand, YH Yeast hexokinase inhibitors designed from the 3-D enzyme structure rebuilding. J Enzym Inhib 12:101-21 (1997) [PubMed]  Article 
Target
Name:
Hexokinase-1
Synonyms:
HKA | HXK1 | HXKA_YEAST | Hexokinase
Type:
Protein
Mol. Mass.:
53728.20
Organism:
Saccharomyces cerevisiae
Description:
P04806
Residue:
485
Sequence:
MVHLGPKKPQARKGSMADVPKELMDEIHQLEDMFTVDSETLRKVVKHFIDELNKGLTKKGGNIPMIPGWVMEFPTGKESGNYLAIDLGGTNLRVVLVKLSGNHTFDTTQSKYKLPHDMRTTKHQEELWSFIADSLKDFMVEQELLNTKDTLPLGFTFSYPASQNKINEGILQRWTKGFDIPNVEGHDVVPLLQNEISKRELPIEIVALINDTVGTLIASYYTDPETKMGVIFGTGVNGAFYDVVSDIEKLEGKLADDIPSNSPMAINCEYGSFDNEHLVLPRTKYDVAVDEQSPRPGQQAFEKMTSGYYLGELLRLVLLELNEKGLMLKDQDLSKLKQPYIMDTSYPARIEDDPFENLEDTDDIFQKDFGVKTTLPERKLIRRLCELIGTRAARLAVCGIAAICQKRGYKTGHIAADGSVYNKYPGFKEAAAKGLRDIYGWTGDASKDPITIVPAEDGSGAGAAVIAALSEKRIAEGKSLGIIGA
  
Inhibitor
Name:
BDBM85423
Synonyms:
Glucosamine analog, 7
Type:
Small organic molecule
Emp. Form.:
C13H16N2O8
Mol. Mass.:
328.2747
SMILES:
OCC1OC(O)C(NC(=O)c2ccccc2N(=O)=O)C(O)C1O
Structure:
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