Reaction Details |
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Target | Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] |
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Ligand | BDBM303453 |
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Substrate/Competitor | n/a |
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Meas. Tech. | Mutant IDH1 R132H Biochemical Assay |
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IC50 | 540±n/a nM |
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Citation | Rehwinkel, H; Bauser, M; Zimmermann, K; Kaulfuß, S; Neuhaus, R Benzimidazol-2-amines as MIDH1 inhibitors US Patent US10138226 Publication Date 11/27/2018 |
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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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BDBM303453 |
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n/a |
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Name | BDBM303453 |
Synonyms: | (+-) methyl 2-{[4-(trifluoromethoxy)phenyl]amino}-1-[(trans)-3,3,5-trimethylcyclohexyl]-1H-benzimidazole-6-carboxylate | US10138226, Example 2-2 |
Type | Small organic molecule |
Emp. Form. | C25H28F3N3O3 |
Mol. Mass. | 475.5033 |
SMILES | COC(=O)c1ccc2nc(Nc3ccc(OC(F)(F)F)cc3)n([C@H]3C[C@H](C)CC(C)(C)C3)c2c1 |r| |
Structure |
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