| Reaction Details |
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 | Report a problem with these data |
| Target | Isocitrate dehydrogenase [NADP], mitochondrial |
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| Ligand | BDBM279977 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1838753 (CHEMBL4338886) |
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| IC50 | 8.0±n/a nM |
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| Citation |  Konteatis, Z; Artin, E; Nicolay, B; Straley, K; Padyana, AK; Jin, L; Chen, Y; Narayaraswamy, R; Tong, S; Wang, F; Zhou, D; Cui, D; Cai, Z; Luo, Z; Fang, C; Tang, H; Lv, X; Nagaraja, R; Yang, H; Su, SM; Sui, Z; Dang, L; Yen, K; Popovici-Muller, J; Codega, P; Campos, C; Mellinghoff, IK; Biller, SA Vorasidenib (AG-881): A First-in-Class, Brain-Penetrant Dual Inhibitor of Mutant IDH1 and 2 for Treatment of Glioma. ACS Med Chem Lett11:101-107 (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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| BDBM279977 |
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| n/a |
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| Name | BDBM279977 |
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| Synonyms: | US10028961, Compound 130 | US10172864, Compound 130 | US10946023, Compound 130 |
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| Type | Small organic molecule |
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| Emp. Form. | C14H13ClF6N6 |
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| Mol. Mass. | 414.737 |
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| SMILES | CC(Nc1nc(NC(C)C(F)(F)F)nc(n1)-c1cccc(Cl)n1)C(F)(F)F |
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| Structure | 
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