Reaction Details Report a problem with these data
Target
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]
Ligand
BDBM287859
Substrate
n/a
Meas. Tech.
R132H IDH1 Enzymatic Assay
IC50
17.0±n/a nM
Citation
 Fischer, C; Bogen, SL; Childers, ML; Fradera Llinas, FX; Ellis, JM; Esposite, S; Hoffman, DM; Huang, C; Kattar, SD; Kim, AJ; Lampe, JW; Machacek, MR; McMasters, DR; Parker, Jr., DL; Reutershan, MH; Sciammetta, N; Shao, PP; Sloman, DL; Sun, W; Ujjainwalla, F; Wu, Z; Yu, Y; Gibeau, CR Tricyclic compounds as inhibitors of mutant IDH enzymes US Patent  US10508108 Publication Date 12/17/2019 
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:
BDBM287859
Synonyms:
6-[(2R)-2,3-dihydro-1,4- benzodioxin-2-ylcarbonyl]- 8-[(1R,5S)-8-oxa-3- azabicyclo[3.2.1]oct-3-yl]- 6,11-dihydro-5H- pyrido[2,3-b] [1,5]benzodiazepine | US10086000, Example 76 | US10508108, Example 76
Type:
Small organic molecule
Emp. Form.:
C27H26N4O4
Mol. Mass.:
470.5197
SMILES:
O=C([C@H]1COc2ccccc2O1)N1Cc2cccnc2Nc2ccc(cc12)N1C[C@@H]2CC[C@H](C1)O2 |r|
Structure:
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