| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 2D6 |
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| Ligand | BDBM50567998 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2104172 (CHEMBL4812675) |
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| IC50 | 17000±n/a nM |
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| Citation |  Palmer, MJ; Deng, X; Watts, S; Krilov, G; Gerasyuto, A; Kokkonda, S; El Mazouni, F; White, J; White, KL; Striepen, J; Bath, J; Schindler, KA; Yeo, T; Shackleford, DM; Mok, S; Deni, I; Lawong, A; Huang, A; Chen, G; Wang, W; Jayaseelan, J; Katneni, K; Patil, R; Saunders, J; Shahi, SP; Chittimalla, R; Angulo-Barturen, I; Jiménez-Díaz, MB; Wittlin, S; Tumwebaze, PK; Rosenthal, PJ; Cooper, RA; Aguiar, ACC; Guido, RVC; Pereira, DB; Mittal, N; Winzeler, EA; Tomchick, DR; Laleu, B; Burrows, JN; Rathod, PK; Fidock, DA; Charman, SA; Phillips, MA Potent Antimalarials with Development Potential Identified by Structure-Guided Computational Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series. J Med Chem64:6085-6136 (2021) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Cytochrome P450 2D6 |
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| Name: | Cytochrome P450 2D6 |
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| Synonyms: | CP2D6_HUMAN | CYP2D6 | CYP2DL1 | CYPIID6 | Cytochrome P450 2D6 (CYP2D6) | Debrisoquine 4-hydroxylase | P450-DB1 |
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| Type: | Protein |
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| Mol. Mass.: | 55774.82 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P10635 |
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| Residue: | 497 |
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| Sequence: | MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQ
LRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVF
LARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDK
AVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKV
LRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVA
DLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVI
HEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHF
LDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGV
FAFLVSPSPYELCAVPR
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| BDBM50567998 |
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| n/a |
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| Name | BDBM50567998 |
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| Synonyms: | CHEMBL4876457 | US11903936, Compound 26 |
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| Type | Small organic molecule |
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| Emp. Form. | C21H19F3N6O |
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| Mol. Mass. | 428.4104 |
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| SMILES | CC(NC(=O)c1[nH]cc(c1C)C1(CC1)c1ccc(c(c1)C#N)C(F)(F)F)c1nc[nH]n1 |
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| Structure | 
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