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TargetKetol-acid reductoisomerase
LigandBDBM82143
Substrate/CompetitorBDBM82146
Meas. Tech.Enzyme Inhibition Assay
pH8±0
Temperature303.15±0 K
Ki 9.530e+4± 1.371e+4 nM
Citation Liu, XHChen, PQWang, BLDong, WLLi, YHXie, XQLi, ZM High throughput receptor-based virtual screening under ZINC database, synthesis, and biological evaluation of ketol-acid reductoisomerase inhibitors. Chem Biol Drug Des75:228-32 (2010) [PubMed]  Article
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Ketol-acid reductoisomerase
Name:Ketol-acid reductoisomerase
Synonyms:Acetohydroxy-acid isomeroreductase | Alpha-keto-beta-hydroxylacil reductoisomerase
Type:Enzyme
Mol. Mass.:54057.85
Organism:Escherichia coli
Description:P05793
Residue:491
Sequence:
MANYFNTLNLRQQLAQLGKCRFMGRDEFADGASYLQGKKVVIVGCGAQGLNQGLNMRDSG
LDISYALRKEAIAEKRASWRKATENGFKVGTYEELIPQADLVINLTPDKQHSDVVRTVQP
LMKDGAALGYSHGFNIVEVGEQIRKDITVVMVAPKCPGTEVREEYKRGFGVPTLIAVHPE
NDPKGEGMAIAKAWAAATGGHRAGVLESSFVAEVKSDLMGEQTILCGMLQAGSLLCFDKL
VEEGTDPAYAEKLIQFGWETITEALKQGGITLMMDRLSNPAKLRAYALSEQLKEIMAPLF
QKHMDDIISGEFSSGMMADWANDDKKLLTWREETGKTAFETAPQYEGKIGEQEYFDKGVL
MIAMVKAGVELAFETMVDSGIIEESAYYESLHELPLIANTIARKRLYEMNVVISDTAEYG
NYLFSYACVPLLKPFMAELQPGDLGKAIPEGAVDNGQLRDVNEAIRSHAIEQVGKKLRGY
MTDMKRIAVAG
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BDBM82143
NameBDBM82143
Synonyms:Cyclopropane, 4
TypeSmall organic molecule
Emp. Form.C5H5NO2
Mol. Mass.111.0987
SMILESOC(=O)C1(CC1)C#N
Structure
BDBM82146
NameBDBM82146
Synonyms:2-Acetolactate
TypeSubstrate
Emp. Form.C5H8O4
Mol. Mass.132.1146
SMILESCC(=O)C(C)(O)C(O)=O
Structure