| Reaction Details |
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 | Report a problem with these data |
| Target | Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] |
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| Ligand | BDBM303475 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | Mutant IDH1 R132H Biochemical Assay |
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| IC50 | 10000±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] |
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| 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 |
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| Type: | Protein |
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| Mol. Mass.: | 46641.74 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Human IDH1 R132H (SEQ ID No. 2 in patent). First three are removed. Google patent parsed wrong. |
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| Residue: | 414 |
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| Sequence: | MSKKISGGSVVEMQGDEMTRIIWELIKEKLIFPYVELDLHSYDLGIENRDATNDQVTKDA
AEAIKKHNVGVKCATITPDEKRVEEFKLKQMWKSPNGTIRNILGGTVFREAIICKNIPRL
VSGWVKPIIIGHHAYGDQYRATDFVVPGPGKVEITYTPSDGTQKVTYLVHNFEEGGGVAM
GMYNQDKSIEDFAHSSFQMALSKGWPLYLSTKNTILKKYDGRFKDIFQEIYDKQYKSQFE
AQKIWYEHRLIDDMVAQAMKSEGGFIWACKNYDGDVQSDSVAQGYGSLGMMTSVLVCPDG
KTVEAEAAHGTVTRHYRMYQKGQETSTNPIASIFAWTRGLAHRAKLDNNKELAFFANALE
EVSIETIEAGFMTKDLAACIKGLPNVQRSDYLNTFEFMDKLGENLKIKLAQAKL
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| BDBM303475 |
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| n/a |
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| Name | BDBM303475 |
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| Synonyms: | US10138226, Example 2-15 |
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| Type | Small organic molecule |
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| Emp. Form. | C27H31F3N4O4 |
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| Mol. Mass. | 532.5546 |
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| SMILES | C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2ccc(cc12)C(=O)NCCC(O)=O |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;$| |
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| Structure | 
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