Target
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]
Ligand
BDBM174788
Substrate
n/a
Meas. Tech.
Mutant IDH1 Biochemical Assay: LC-MS Detection of 2-HG
pH
7.4±n/a
Temperature
298.15±n/a K
IC50
13.0±n/a nM
Comments
extracted
Citation
 Caferro, TRChen, ZCho, YSCostales, AQLevell, JRLiu, GManning, JRSendzik, MShafer, CShultz, MDSutton, JCWang, YZhao, Q 3-pyrimidin-4-yl-oxazolidin-2-ones as inhibitors of mutant IDH US Patent  US10112931 Publication Date 10/30/2018 
Target
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:
MSKKISGGSVVEMQGDEMTRIIWELIKEKLIFPYVELDLHSYDLGIENRDATNDQVTKDAAEAIKKHNVGVKCATITPDEKRVEEFKLKQMWKSPNGTIRNILGGTVFREAIICKNIPRLVSGWVKPIIIGHHAYGDQYRATDFVVPGPGKVEITYTPSDGTQKVTYLVHNFEEGGGVAMGMYNQDKSIEDFAHSSFQMALSKGWPLYLSTKNTILKKYDGRFKDIFQEIYDKQYKSQFEAQKIWYEHRLIDDMVAQAMKSEGGFIWACKNYDGDVQSDSVAQGYGSLGMMTSVLVCPDGKTVEAEAAHGTVTRHYRMYQKGQETSTNPIASIFAWTRGLAHRAKLDNNKELAFFANALEEVSIETIEAGFMTKDLAACIKGLPNVQRSDYLNTFEFMDKLGENLKIKLAQAKL
  
Inhibitor
Name:
BDBM174788
Synonyms:
US10112931, Example 91 | US9688672, Example 91
Type:
Small organic molecule
Emp. Form.:
C22H20ClF3N6O3
Mol. Mass.:
508.881
SMILES:
C[C@@H](O)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ncc(cn2)-c2cc(Cl)cc(c2)C(F)(F)F)n1 |r,w:15.16|
Structure:
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