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TargetIsocitrate dehydrogenase 2 mutant (R172S)
LigandBDBM195602
Substrate/Competitorn/a
Meas. Tech.RapidFire-MS/MS and NADPH Assays
Temperature298.15±n/a K
IC50>100000±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
 
Isocitrate dehydrogenase 2 mutant (R172S)
Name:Isocitrate dehydrogenase 2 mutant (R172S)
Synonyms:n/a
Type:Protein
Mol. Mass.:50853.19
Organism:Homo sapiens (Human)
Description:R172S mutant
Residue:452
Sequence:
MAGYLRVVRSLCRASGSRPAWAPAALTAPTSQEQPRRHYADKRIKVAKPVVEMDGDEMTR
IIWQFIKEKLILPHVDIQLKYFDLGLPNRDQTDDQVTIDSALATQKYSVAVKCATITPDE
ARVEEFKLKKMWKSPNGTIRNILGGTVFREPIICKNIPRLVPGWTKPITIGSHAHGDQYK
ATDFVADRAGTFKMVFTPKDGSGVKEWEVYNFPAGGVGMGMYNTDESISGFAHSCFQYAI
QKKWPLYMSTKNTILKAYDGRFKDIFQEIFDKHYKTDFDKNKIWYEHRLIDDMVAQVLKS
SGGFVWACKNYDGDVQSDILAQGFGSLGLMTSVLVCPDGKTIEAEAAHGTVTRHYREHQK
GRPTSTNPIASIFAWTRGLEHRGKLDGNQDLIRFAQMLEKVCVETVESGAMTKDLAGCIH
GLSNVKLNEHFLNTTDFLDTIKSNLDRALGRQ
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  Blast E-value cutoff:
BDBM195602
n/a
NameBDBM195602
Synonyms:GSK990
TypeSmall organic molecule
Emp. Form.C23H23N7O2
Mol. Mass.429.4744
SMILESCc1cccc(NC(=O)c2nn(Cc3c[nH]cn3)c3CCN(Cc23)C(=O)c2ccc[nH]2)c1
Structure
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