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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] | ||
| Ligand | BDBM278588 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | Inhibitory Activity Against IDH1R132H and IDH1R132C Enzymes | ||
| pH | 7.5±n/a | ||
| Temperature | 298.15±n/a K | ||
| IC50 | 11±n/a nM | ||
| Comments | extracted | ||
| Citation |  Saito, S; Itoh, M; Fujisawa, T; Saito, H; Kiyotsuka, Y; Watanabe, H; Matsunaga, H; Kagoshima, Y; Suzuki, T; Ogawara, Y; Kitabayashi, K Isoxazole derivative as mutant isocitrate dehydrogenase 1 inhibitor US Patent US10040791 Publication Date 8/7/2018 | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] | |||
| 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: |
| ||
| BDBM278588 | |||
| n/a | |||
| Name | BDBM278588 | ||
| Synonyms: | (2E)-3-(7-Fluoro-1-{[5-(2- fluoropropan-2-yl)-3-(2,4,6- trichlorophenyl)-1,2-oxazol-4- yl]carbonyl}-3-methyl-1H- indol-4-yl)prop-2-enoic acid | US10040791, Example 50 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C25H17Cl3F2N2O4 | ||
| Mol. Mass. | 553.769 | ||
| SMILES | Cc1cn(C(=O)c2c(noc2C(C)(C)F)-c2c(Cl)cc(Cl)cc2Cl)c2c(F)ccc(\C=C\C(O)=O)c12 |(3.9,1.01,;2.57,.24,;1.13,.79,;.16,-.41,;-1.38,-.41,;-2.15,-1.74,;-2.15,.93,;-3.69,.93,;-4.16,2.39,;-2.92,3.3,;-1.67,2.39,;-.18,2.79,;.91,1.7,;.22,4.28,;1.3,3.19,;-4.77,-.16,;-6.26,.24,;-6.66,1.72,;-7.35,-.85,;-6.95,-2.34,;-8.04,-3.43,;-5.47,-2.74,;-4.38,-1.65,;-2.89,-2.05,;1,-1.7,;.6,-3.19,;-.88,-3.59,;1.69,-4.28,;3.18,-3.88,;3.58,-2.39,;5.07,-1.99,;5.47,-.5,;6.95,-.11,;8.04,-1.19,;7.35,1.38,;2.49,-1.3,)| | ||
| Structure | 
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