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Target
Ketol-acid reductoisomerase (NADP(+))
Ligand
BDBM82144
Substrate
BDBM82142
Meas. Tech.
Enzyme Inhibition Assay
pH
8±0
Temperature
303.15±0 K
Ki
3.116e+4± 9.26e+3 nM
Citation
 Liu, XH; Chen, PQ; Wang, BL; Dong, WL; Li, YH; Xie, XQ; Li, ZM High throughput receptor-based virtual screening under ZINC database, synthesis, and biological evaluation of ketol-acid reductoisomerase inhibitors. Chem Biol Drug Des 75:228-32 (2010) [PubMed]  Article 
Target
Name:
Ketol-acid reductoisomerase (NADP(+))
Synonyms:
Acetohydroxy-acid isomeroreductase | Alpha-keto-beta-hydroxylacil reductoisomerase | ILVC_ECOLI | Ketol-acid reductoisomerase | ilvC
Type:
Enzyme
Mol. Mass.:
54057.85
Organism:
Escherichia coli
Description:
P05793
Residue:
491
Sequence:
MANYFNTLNLRQQLAQLGKCRFMGRDEFADGASYLQGKKVVIVGCGAQGLNQGLNMRDSGLDISYALRKEAIAEKRASWRKATENGFKVGTYEELIPQADLVINLTPDKQHSDVVRTVQPLMKDGAALGYSHGFNIVEVGEQIRKDITVVMVAPKCPGTEVREEYKRGFGVPTLIAVHPENDPKGEGMAIAKAWAAATGGHRAGVLESSFVAEVKSDLMGEQTILCGMLQAGSLLCFDKLVEEGTDPAYAEKLIQFGWETITEALKQGGITLMMDRLSNPAKLRAYALSEQLKEIMAPLFQKHMDDIISGEFSSGMMADWANDDKKLLTWREETGKTAFETAPQYEGKIGEQEYFDKGVLMIAMVKAGVELAFETMVDSGIIEESAYYESLHELPLIANTIARKRLYEMNVVISDTAEYGNYLFSYACVPLLKPFMAELQPGDLGKAIPEGAVDNGQLRDVNEAIRSHAIEQVGKKLRGYMTDMKRIAVAG
  
Inhibitor
Name:
BDBM82144
Synonyms:
Cyclopropane, 5
Type:
Small organic molecule
Emp. Form.:
C5H7NO3
Mol. Mass.:
129.114
SMILES:
NC(=O)C1(CC1)C(O)=O
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM82142
Synonyms:
Cyclopropane, 3
Type:
Small organic molecule
Emp. Form.:
C5H6O4
Mol. Mass.:
130.0987
SMILES:
OC(=O)C1(CC1)C(O)=O
Structure:
Search PDB for entries with ligand similarity: