Reaction Details
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Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]
Ligand
BDBM416009
Substrate
n/a
Meas. Tech.
Enzymatic Assay
IC50
13.0±n/a nM
Citation
Fischer, C; Bogen, SL; Childers, ML; Fradera Llinas, FX; Ellis, JM; Esposite, S; Hong, Q; Huang, C; Kim, AJ; Lampe, JW; Machacek, MR; McMasters, DR; Otte, RD; Parker, Jr., DL; Reutershan, M; Sciammetta, N; Shao, PP; Sloman, DL; Ujjainwalla, F; White, C; Wu, Z; Yu, Y; Zhao, K; Gibeau, C; Biftu, T; Biju, P; Chen, L; Close, J; Fuller, PH; Huang, X; Park, MK; Simov, V; Witter, DJ; Zhang, H Tricyclic compounds as inhibitors of mutant IDH enzymes US Patent US10442819 Publication Date 10/15/2019 More Info.:
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:
BDBM416009
Synonyms:
6-{[(1R,3S,4S)-3- ethoxy-4- fluorocyclopentyl]carbon- yl}-8-[(1S,4S)-2-oxa- 5-azabicyclo[2.2.2]oct- 5-yl]-6,11-dihydro-5H- pyrido[2,3- b][1,5]benzodiazepine | US10442819, Example 157
Type:
Small organic molecule
Emp. Form.:
C26H31FN4O3
Mol. Mass.:
466.5477
SMILES:
CCO[C@H]1C[C@H](C[C@@H]1F)C(=O)N1Cc2cccnc2Nc2ccc(cc12)N1C[C@@H]2CC[C@H]1CO2 |r|
Structure:
