Reaction Details Report a problem with these data
Target
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]
Ligand
BDBM412546
Substrate
n/a
Meas. Tech.
R132H IDH1 Enzymatic Assay
IC50
36.9±n/a nM
Citation
 Witter, DJ; Biftu, T; Biju, P; Bogen, SL; Hong, Q; Huang, C; Huang, X; Li, B; Park, MK; Sloman, DL Tricyclic compounds as inhibitors of mutant IDH enzymes US Patent  US10399972 Publication Date 9/3/2019 
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:
BDBM412546
Synonyms:
(8-(1,4-dioxan-2-yl)-9- fluoro-5,11-dihydro-6H- benzo[b]pyrido[2,3- e][1,4]diazepin-6- yl)((2R,5S)-5- isopropoxytetrahydro-2H- pyran-2-yl)methanone | US10399972, Example 37 | US10399972, Example 38
Type:
Small organic molecule
Emp. Form.:
C25H30FN3O5
Mol. Mass.:
471.5212
SMILES:
CC(C)O[C@H]1CC[C@@H](OC1)C(=O)N1Cc2cccnc2Nc2cc(F)c(cc12)C1COCCO1 |r|
Structure:
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