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Target
3-isopropylmalate dehydrogenase
Ligand
BDBM50481232
Substrate
n/a
Meas. Tech.
ChEMBL_603446 (CHEMBL1043354)
Ki
62±n/a nM
Citation
 Nango, E; Yamamoto, T; Kumasaka, T; Eguchi, T Crystal structure of 3-isopropylmalate dehydrogenase in complex with NAD(+) and a designed inhibitor. Bioorg Med Chem 17:7789-94 (2009) [PubMed]  Article 
Target
Name:
3-isopropylmalate dehydrogenase
Synonyms:
1.1.1.85 | 3-IPM-DH | 3-isopropylmalate dehydrogenase | Beta-IPM dehydrogenase | IMDH | LEU3_THET8 | leuB
Type:
PROTEIN
Mol. Mass.:
36773.76
Organism:
Thermus thermophilus
Description:
ChEMBL_109251
Residue:
345
Sequence:
MKVAVLPGDGIGPEVTEAALKVLRALDEAEGLGLAYEVFPFGGAAIDAFGEPFPEPTRKGVEEAEAVLLGSVGGPKWDGLPRKIRPETGLLSLRKSQDLFANLRPAKVFPGLERLSPLKEEIARGVDVLIVRELTGGIYFGEPRGMSEAEAWNTERYSKPEVERVARVAFEAARKRRKHVVSVDKANVLEVGEFWRKTVEEVGRGYPDVALEHQYVDAMAMHLVRSPARFDVVVTGNIFGDILSDLASVLPGSLGLLPSASLGRGTPVFEPVHGSAPDIAGKGIANPTAAILSAAMMLEHAFGLVELARKVEDAVAKALLETPPPDLGGSAGTEAFTATVLRHLA
  
Inhibitor
Name:
BDBM50481232
Synonyms:
CHEMBL602786
Type:
Small organic molecule
Emp. Form.:
C5H6Na2O5S
Mol. Mass.:
224.143
SMILES:
[Na;v0+].[Na;v0+].[H][C@]([#8])([#6](-[#8-])=O)[C@]([H])([#16]-[#6])[#6](-[#8-])=O |r|
Structure:
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