Reaction Details | |||
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Target | Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] | ||
Ligand | BDBM278628 | ||
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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BDBM278628 | |||
n/a | |||
Name | BDBM278628 | ||
Synonyms: | (2E)-3-(1-{[5-(1-Aminocyclobutyl)-3-(2,4,6-trichlorophenyl)-1,2-oxazol-4-yl]carbonyl}-3-methyl-1H-indol-4-yl)prop-2-enoic acid | US10040791, Example 90 | ||
Type | Small organic molecule | ||
Emp. Form. | C26H20Cl3N3O4 | ||
Mol. Mass. | 544.814 | ||
SMILES | Cc1cn(C(=O)c2c(noc2C2(N)CCC2)-c2c(Cl)cc(Cl)cc2Cl)c2cccc(\C=C\C(O)=O)c12 |(2.79,-12.89,;1.46,-13.66,;-.01,-13.18,;-.91,-14.43,;-2.45,-14.43,;-3.22,-15.76,;-3.22,-13.1,;-4.76,-13.1,;-5.24,-11.63,;-3.99,-10.73,;-2.75,-11.63,;-1.41,-10.86,;-1.01,-9.37,;-1.41,-12.4,;.13,-12.4,;.13,-10.86,;-6.27,-14.4,;-5.87,-15.89,;-4.38,-16.29,;-6.96,-16.98,;-8.44,-16.58,;-9.53,-17.67,;-8.84,-15.09,;-7.75,-14,;-8.15,-12.51,;-.01,-15.67,;-.33,-17.18,;.82,-18.21,;2.28,-17.74,;2.6,-16.23,;4.09,-15.83,;4.49,-14.34,;5.98,-13.94,;7.07,-15.03,;6.38,-12.46,;1.46,-15.2,)| | ||
Structure |