Reaction Details |
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Target | Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] |
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Ligand | BDBM412549 |
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Substrate/Competitor | n/a |
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Meas. Tech. | R132H IDH1 Enzymatic Assay |
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IC50 | 25.5±n/a nM |
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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 |
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More Info.: | Get all data from this article, Assay Method |
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Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] |
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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
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BDBM412549 |
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n/a |
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Name | BDBM412549 |
Synonyms: | (3-fluoro-8-(6-oxa-2- azaspiro[3.5]nonan-2-yl)-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 40 |
Type | Small organic molecule |
Emp. Form. | C28H35FN4O4 |
Mol. Mass. | 510.6003 |
SMILES | CC(C)O[C@H]1CC[C@@H](OC1)C(=O)N1Cc2cc(F)cnc2Nc2ccc(cc12)N1CC2(C1)CCCOC2 |r| |
Structure |
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