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TargetIDH1 R132C
LigandBDBM195601
Substrate/Competitorn/a
Meas. Tech.RapidFire-MS/MS and NADPH Assays
Temperature298.15±n/a K
IC50 3.8±0.0 nM
Commentsextracted
Citation Okoye-Okafor UCBartholdy BCartier JGao ENPietrak BRendina ARRominger CQuinn CSmallwood AWiggall KJReif AJSchmidt SJQi HZhao HJoberty GFaelth-Savitski MBantscheff MDrewes GDuraiswami CBrady PGroy ANarayanagari SRAntony-Debre IMitchell KWang HRKao YRChristopeit MCarvajal LBarreyro LPaietta EMakishima HWill BConcha NAdams NDSchwartz BMcCabe MTMaciejewski JVerma ASteidl U New IDH1 mutant inhibitors for treatment of acute myeloid leukemia Nat Chem Biol 11:878-86 (2015) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
IDH1 R132C
Name:IDH1 R132C
Synonyms:IDH1(R132C) | Isocitrate dehydrogenase (IDH1)(R132C) | Isocitrate dehydrogenase 1 mutant (R132C) | Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1) (R132C)
Type:Enzyme Catalytic Domain
Mol. Mass.:46607.23
Organism:Homo sapiens (Human)
Description:n/a
Residue:414
Sequence:
MSKKISGGSVVEMQGDEMTRIIWELIKEKLIFPYVELDLHSYDLGIENRDATNDQVTKDA
AEAIKKHNVGVKCATITPDEKRVEEFKLKQMWKSPNGTIRNILGGTVFREAIICKNIPRL
VSGWVKPIIIGCHAYGDQYRATDFVVPGPGKVEITYTPSDGTQKVTYLVHNFEEGGGVAM
GMYNQDKSIEDFAHSSFQMALSKGWPLYLSTKNTILKKYDGRFKDIFQEIYDKQYKSQFE
AQKIWYEHRLIDDMVAQAMKSEGGFIWACKNYDGDVQSDSVAQGYGSLGMMTSVLVCPDG
KTVEAEAAHGTVTRHYRMYQKGQETSTNPIASIFAWTRGLAHRAKLDNNKELAFFANALE
EVSIETIEAGFMTKDLAACIKGLPNVQRSDYLNTFEFMDKLGENLKIKLAQAKL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM195601
n/a
NameBDBM195601
Synonyms:GSK321
TypeSmall organic molecule
Emp. Form.C28H28FN5O3
Mol. Mass.501.552
SMILESC[C@H](O)c1cccc(NC(=O)c2nn(Cc3ccc(F)cc3)c3[C@H](C)CN(Cc23)C(=O)c2ccc[nH]2)c1 |r|
Structure
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