| Reaction Details |
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 | Report a problem with these data |
| Target | Isocitrate dehydrogenase [NADP], mitochondrial |
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| Ligand | BDBM50555784 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2053482 (CHEMBL4708483) |
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| IC50 | 38±n/a nM |
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| Citation |  Che, J; Huang, F; Zhang, M; Xu, G; Qu, B; Gao, J; Chen, B; Zhang, J; Ying, H; Hu, Y; Hu, X; Zhou, Y; Gao, A; Li, J; Dong, X Structure-based design, synthesis and bioactivity evaluation of macrocyclic inhibitors of mutant isocitrate dehydrogenase 2 (IDH2) displaying activity in acute myeloid leukemia cells. Eur J Med Chem203:0 (2020) [PubMed] Article |
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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 |
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| Synonyms: | IDH2 | IDH2 (R172K, 40-end) | IDHP_HUMAN | Isocitrate dehydrogenase 2 (IDH2) |
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| Type: | Protein |
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| Mol. Mass.: | 50923.31 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Full-length wild-type |
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| Residue: | 452 |
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| Sequence: | MAGYLRVVRSLCRASGSRPAWAPAALTAPTSQEQPRRHYADKRIKVAKPVVEMDGDEMTR
IIWQFIKEKLILPHVDIQLKYFDLGLPNRDQTDDQVTIDSALATQKYSVAVKCATITPDE
ARVEEFKLKKMWKSPNGTIRNILGGTVFREPIICKNIPRLVPGWTKPITIGRHAHGDQYK
ATDFVADRAGTFKMVFTPKDGSGVKEWEVYNFPAGGVGMGMYNTDESISGFAHSCFQYAI
QKKWPLYMSTKNTILKAYDGRFKDIFQEIFDKHYKTDFDKNKIWYEHRLIDDMVAQVLKS
SGGFVWACKNYDGDVQSDILAQGFGSLGLMTSVLVCPDGKTIEAEAAHGTVTRHYREHQK
GRPTSTNPIASIFAWTRGLEHRGKLDGNQDLIRFAQMLEKVCVETVESGAMTKDLAGCIH
GLSNVKLNEHFLNTTDFLDTIKSNLDRALGRQ
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| BDBM50555784 |
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| n/a |
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| Name | BDBM50555784 |
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| Synonyms: | CHEMBL4779519 |
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| Type | Small organic molecule |
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| Emp. Form. | C22H21F3N6O |
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| Mol. Mass. | 442.4369 |
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| SMILES | Cc1cc2C\C=C/COCCNc3nc(Nc(c1)c2)nc(n3)-c1cccc(n1)C(F)(F)F |c:5| |
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| Structure | 
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