Reaction Details |
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Target | Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] |
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Ligand | BDBM497343 |
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Substrate/Competitor | n/a |
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Meas. Tech. | Biochemical Assay |
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IC50 | 2.76±n/a nM |
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Citation | Bauer, RA; Boulet, SL; Burkholder, TP; Hahn, PJ; Rankovic, Z 7-phenylethylamino-4H-pyrimido[4,5-d][1,3]oxazin-2-one compounds as mutant IDH1 and IDH2 inhibitors US Patent US11001596 Publication Date 5/11/2021 |
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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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BDBM497343 |
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n/a |
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Name | BDBM497343 |
Synonyms: | 7-[[(1S)-1-[4-[2- Cyclopropyl-1-(4-prop-2- enoylpiperazin-1- yl)ethyl]phenyl]ethyl]amino]- 1-ethyl-4H-pyrimido[4,5- d][1,3]oxazin-2-one | US11001596, Example 5 | US11629156, Example 5 | US11649247, Example 5 |
Type | Small organic molecule |
Emp. Form. | C28H36N6O3 |
Mol. Mass. | 504.6238 |
SMILES | CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)C(CC3CC3)N3CCN(CC3)C(=O)C=C)nc12 |r| |
Structure |
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