Reaction Details |
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Target | Isocitrate dehydrogenase [NADP], mitochondrial |
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Ligand | BDBM497335 |
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Substrate/Competitor | n/a |
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Meas. Tech. | Biochemical Assay |
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IC50 | 884±748 nM |
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Citation | Bauer, RA; Boulet, SL; Burkholder, TP; 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 US11001596 Publication Date 5/11/2021 |
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More Info.: | Get all data from this article, Assay Method |
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Isocitrate dehydrogenase [NADP], mitochondrial |
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Name: | Isocitrate dehydrogenase [NADP], mitochondrial |
Synonyms: | IDH2 | IDH2 (R172K, 40-end) | IDHP_HUMAN | Isocitrate dehydrogenase 2 (IDH2) |
Type: | Protein |
Mol. Mass.: | 50923.31 |
Organism: | Homo sapiens (Human) |
Description: | Full-length wild-type |
Residue: | 452 |
Sequence: | MAGYLRVVRSLCRASGSRPAWAPAALTAPTSQEQPRRHYADKRIKVAKPVVEMDGDEMTR
IIWQFIKEKLILPHVDIQLKYFDLGLPNRDQTDDQVTIDSALATQKYSVAVKCATITPDE
ARVEEFKLKKMWKSPNGTIRNILGGTVFREPIICKNIPRLVPGWTKPITIGRHAHGDQYK
ATDFVADRAGTFKMVFTPKDGSGVKEWEVYNFPAGGVGMGMYNTDESISGFAHSCFQYAI
QKKWPLYMSTKNTILKAYDGRFKDIFQEIFDKHYKTDFDKNKIWYEHRLIDDMVAQVLKS
SGGFVWACKNYDGDVQSDILAQGFGSLGLMTSVLVCPDGKTIEAEAAHGTVTRHYREHQK
GRPTSTNPIASIFAWTRGLEHRGKLDGNQDLIRFAQMLEKVCVETVESGAMTKDLAGCIH
GLSNVKLNEHFLNTTDFLDTIKSNLDRALGRQ
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BDBM497335 |
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n/a |
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Name | BDBM497335 |
Synonyms: | 7-[[(1S)-1-[4-[(1S)-2- cyclopropyl-1-(4-prop-2- enoylpiperazin-1-yl) ethyl]phenyl]ethyl]amino]- 1-ethyl-4H-pyrimido[4,5- d][1,3]oxazin-2-one | US11001596, Example 2 | US11629156, Example 2 | US11649247, Example 2 |
Type | Small organic molecule |
Emp. Form. | C28H36N6O3 |
Mol. Mass. | 504.6238 |
SMILES | CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)[C@H](CC3CC3)N3CCN(CC3)C(=O)C=C)nc12 |r| |
Structure |
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