| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] |
|---|
| Ligand | BDBM600752 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | Biochemical Assays for IDH1 and IDH2 Mutant Enzymes |
|---|
| IC50 | 16.6±n/a nM |
|---|
| Citation |  Bauer, RA; Boulet, SL; Burkholder, TP; Gilmour, R; Hahn, PJ; Rankovic, Z 7-phenylethylamino-4H-pyrimido[4,5-d][1,3]oxazin-2-one compounds as mutant IDH1 and IDH2 inhibitors US Patent US11629156 Publication Date 4/18/2023 |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] |
|---|
| Name: | Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] |
|---|
| Synonyms: | IDH1 | IDH1 R132C | IDH1(R132C) | IDHC_HUMAN | Isocitrate dehydrogenase (IDH1)(R132C) | Isocitrate dehydrogenase 1 mutant (R132C) | Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1) (R132C) | PICD |
|---|
| Type: | Enzyme Catalytic Domain |
|---|
| Mol. Mass.: | 46607.23 |
|---|
| Organism: | Homo sapiens (Human) |
|---|
| Description: | O75874[R132C] |
|---|
| Residue: | 414 |
|---|
| Sequence: | MSKKISGGSVVEMQGDEMTRIIWELIKEKLIFPYVELDLHSYDLGIENRDATNDQVTKDA
AEAIKKHNVGVKCATITPDEKRVEEFKLKQMWKSPNGTIRNILGGTVFREAIICKNIPRL
VSGWVKPIIIGCHAYGDQYRATDFVVPGPGKVEITYTPSDGTQKVTYLVHNFEEGGGVAM
GMYNQDKSIEDFAHSSFQMALSKGWPLYLSTKNTILKKYDGRFKDIFQEIYDKQYKSQFE
AQKIWYEHRLIDDMVAQAMKSEGGFIWACKNYDGDVQSDSVAQGYGSLGMMTSVLVCPDG
KTVEAEAAHGTVTRHYRMYQKGQETSTNPIASIFAWTRGLAHRAKLDNNKELAFFANALE
EVSIETIEAGFMTKDLAACIKGLPNVQRSDYLNTFEFMDKLGENLKIKLAQAKL
|
|
|
|---|
| BDBM600752 |
|---|
| n/a |
|---|
| Name | BDBM600752 |
|---|
| Synonyms: | 1-Ethyl-7-[[(1S)-1-[4-[3-methoxy-1-(4-prop-2-enoylpiperazin-1-yl)propyl]phenyl]ethyl]amino]-4H-pyrimido[4,5-d][1,3]oxazin-2-one, diastereomer 1 | US11629156, Example 13 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C27H36N6O4 |
|---|
| Mol. Mass. | 508.6125 |
|---|
| SMILES | CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)[C@H](CCOC)N3CCN(CC3)C(=O)C=C)nc12 |r| |
|---|
| Structure | 
|
|---|
Search and Browse
