| Reaction Details |
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 | Report a problem with these data |
| Target | Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] |
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| Ligand | BDBM195601 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | RapidFire-MS/MS and NADPH Assays |
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| Temperature | 298.15±n/a K |
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| IC50 | 3.8±0.0 nM |
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| Comments | extracted |
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| Citation |  Okoye-Okafor, UC; Bartholdy, B; Cartier, J; Gao, EN; Pietrak, B; Rendina, AR; Rominger, C; Quinn, C; Smallwood, A; Wiggall, KJ; Reif, AJ; Schmidt, SJ; Qi, H; Zhao, H; Joberty, G; Faelth-Savitski, M; Bantscheff, M; Drewes, G; Duraiswami, C; Brady, P; Groy, A; Narayanagari, SR; Antony-Debre, I; Mitchell, K; Wang, HR; Kao, YR; Christopeit, M; Carvajal, L; Barreyro, L; Paietta, E; Makishima, H; Will, B; Concha, N; Adams, ND; Schwartz, B; McCabe, MT; Maciejewski, J; Verma, A; Steidl, U New IDH1 mutant inhibitors for treatment of acute myeloid leukemia Nat Chem Biol11:878-86 (2015) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] |
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| Name: | Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] |
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| Synonyms: | IDH1 | IDH1 R132C | IDH1(R132C) | IDHC_HUMAN | Isocitrate dehydrogenase (IDH1)(R132C) | Isocitrate dehydrogenase 1 mutant (R132C) | Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1) (R132C) | PICD |
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| Type: | Enzyme Catalytic Domain |
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| Mol. Mass.: | 46607.23 |
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| Organism: | Homo sapiens (Human) |
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| Description: | O75874[R132C] |
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| Residue: | 414 |
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| Sequence: | MSKKISGGSVVEMQGDEMTRIIWELIKEKLIFPYVELDLHSYDLGIENRDATNDQVTKDA
AEAIKKHNVGVKCATITPDEKRVEEFKLKQMWKSPNGTIRNILGGTVFREAIICKNIPRL
VSGWVKPIIIGCHAYGDQYRATDFVVPGPGKVEITYTPSDGTQKVTYLVHNFEEGGGVAM
GMYNQDKSIEDFAHSSFQMALSKGWPLYLSTKNTILKKYDGRFKDIFQEIYDKQYKSQFE
AQKIWYEHRLIDDMVAQAMKSEGGFIWACKNYDGDVQSDSVAQGYGSLGMMTSVLVCPDG
KTVEAEAAHGTVTRHYRMYQKGQETSTNPIASIFAWTRGLAHRAKLDNNKELAFFANALE
EVSIETIEAGFMTKDLAACIKGLPNVQRSDYLNTFEFMDKLGENLKIKLAQAKL
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| BDBM195601 |
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| n/a |
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| Name | BDBM195601 |
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| Synonyms: | GSK321 | US11311527, Cpd ID GSK321 | US11376246, Cpd ID GSK321 | US11576906, Compound GSK321 |
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| Type | Small organic molecule |
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| Emp. Form. | C28H28FN5O3 |
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| Mol. Mass. | 501.552 |
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| SMILES | C[C@H](O)c1cccc(NC(=O)c2nn(Cc3ccc(F)cc3)c3[C@H](C)CN(Cc23)C(=O)c2ccc[nH]2)c1 |r| |
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| Structure | 
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