Reaction Details | |||
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Target | Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] | ||
Ligand | BDBM278540 | ||
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 | 7.00±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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BDBM278540 | |||
n/a | |||
Name | BDBM278540 | ||
Synonyms: | (2E)-3-(3-Methyl-1-{[5-(3-methyloxetan-3-yl)-3-(2,4,6-trichlorophenyl)-1,2-oxazol-4-yl]carbonyl}-1H-indol-4-yl)prop-2-enoic acid | US10040791, Example 2 | ||
Type | Small organic molecule | ||
Emp. Form. | C26H19Cl3N2O5 | ||
Mol. Mass. | 545.798 | ||
SMILES | Cc1cn(C(=O)c2c(noc2C2(C)COC2)-c2c(Cl)cc(Cl)cc2Cl)c2cccc(\C=C\C(O)=O)c12 |(3.32,.91,;1.98,.14,;.52,.62,;-.39,-.63,;-1.93,-.63,;-2.57,-1.74,;-2.7,.7,;-4.24,.7,;-4.71,2.17,;-3.47,3.07,;-2.22,2.17,;-.89,2.94,;.45,2.17,;.2,4.03,;-.89,5.12,;-1.98,4.03,;-5.28,-1.12,;-6.82,-1.12,;-7.59,.22,;-7.59,-2.45,;-6.82,-3.78,;-7.59,-5.12,;-5.28,-3.78,;-4.51,-2.45,;-2.97,-2.45,;.52,-1.87,;.2,-3.38,;1.34,-4.41,;2.81,-3.94,;3.13,-2.43,;4.61,-2.03,;5.01,-.54,;6.5,-.14,;7.59,-1.23,;6.9,1.34,;1.98,-1.4,)| | ||
Structure |