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TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H]
LigandBDBM303127
Substrate/Competitorn/a
Meas. Tech.Mutant IDH1 Cellular Assay
IC50 22.0±n/a nM
Citation Rehwinkel, HAnlauf, SNguyen, DPanknin, OBauser, MZimmermann, KKaulfuss, SNeuhaus, RBlaney, PMToschi, G 1-cyclohexyl-2-phenylaminobenzimidazoles as mIDH1 inhibitors for the treatment of tumors US Patent US10137110 Publication Date 11/27/2018
More Info.:Get all data from this article,  Assay Method
 
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]
Name:Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]
Synonyms:Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H) | IDH1 | IDH1 R132H | IDH1(R132H) | IDHC_HUMAN | Isocitrate dehydrogenase (IDH1)(R132H) | Isocitrate dehydrogenase 1 mutant (R132H) | Isocitrate dehydrogenase [NADP] cytoplasmic (IDH)(R132H) | Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1)(R132H) | Isocitrate dehydrogenase [NADP] cytoplasmic (R132H) | PICD
Type:Protein
Mol. Mass.:46641.74
Organism:Homo sapiens (Human)
Description:Human IDH1 R132H (SEQ ID No. 2 in patent). First three are removed. Google patent parsed wrong.
Residue:414
Sequence:
MSKKISGGSVVEMQGDEMTRIIWELIKEKLIFPYVELDLHSYDLGIENRDATNDQVTKDA
AEAIKKHNVGVKCATITPDEKRVEEFKLKQMWKSPNGTIRNILGGTVFREAIICKNIPRL
VSGWVKPIIIGHHAYGDQYRATDFVVPGPGKVEITYTPSDGTQKVTYLVHNFEEGGGVAM
GMYNQDKSIEDFAHSSFQMALSKGWPLYLSTKNTILKKYDGRFKDIFQEIYDKQYKSQFE
AQKIWYEHRLIDDMVAQAMKSEGGFIWACKNYDGDVQSDSVAQGYGSLGMMTSVLVCPDG
KTVEAEAAHGTVTRHYRMYQKGQETSTNPIASIFAWTRGLAHRAKLDNNKELAFFANALE
EVSIETIEAGFMTKDLAACIKGLPNVQRSDYLNTFEFMDKLGENLKIKLAQAKL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM303127
n/a
NameBDBM303127
Synonyms:5-[6-methyl-1-(3,3,5,5-tetramethylcyclohexyl)-2-{[4-(trifluoromethoxy)phenyl]amino}-1H-benzimidazol-5-yl]-1,3-oxazolidine-2,4-dione | US10137110, Example 2-36
TypeSmall organic molecule
Emp. Form.C28H31F3N4O4
Mol. Mass.544.5653
SMILESCc1cc2n(C3CC(C)(C)CC(C)(C)C3)c(Nc3ccc(OC(F)(F)F)cc3)nc2cc1C1OC(=O)NC1=O
Structure
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