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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] | ||
| Ligand | BDBM278577 | ||
| 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 | 12±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: |
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| BDBM278577 | |||
| n/a | |||
| Name | BDBM278577 | ||
| Synonyms: | (2E)-3-(1-{[3-(2-Bromo-6-chlorophenyl)-5-(tert-butyl)-1,2-oxazol-4-yl]carbonyl}-1H-indol-4-yl)prop-2-enoic acid | US10040791, Example 39 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C25H20BrClN2O4 | ||
| Mol. Mass. | 527.794 | ||
| SMILES | CC(C)(C)c1onc(c1C(=O)n1ccc2c(\C=C\C(O)=O)cccc12)-c1c(Cl)cccc1Br |(.45,2.14,;-.89,2.91,;-.89,4.45,;.45,3.68,;-2.22,2.14,;-3.47,3.04,;-4.71,2.14,;-4.24,.67,;-2.7,.67,;-1.93,-.66,;-2.6,-1.83,;-.39,-.66,;.52,.58,;1.98,.11,;1.98,-1.43,;3.13,-2.46,;4.61,-2.06,;5.01,-.58,;6.5,-.18,;7.59,-1.27,;6.9,1.31,;2.81,-3.97,;1.34,-4.45,;.2,-3.42,;.52,-1.91,;-5.28,-1.26,;-4.51,-2.59,;-2.97,-2.59,;-5.28,-3.93,;-6.82,-3.93,;-7.59,-2.59,;-6.82,-1.26,;-7.59,.08,)| | ||
| Structure | 
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