Reaction Details |
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Target | Cytochrome P450 2D6 |
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Ligand | BDBM50520253 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1879561 (CHEMBL4380955) |
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IC50 | >30000±n/a nM |
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Citation | Kwiatkowski, J; Liu, B; Pang, S; Ahmad, NHB; Wang, G; Poulsen, A; Yang, H; Poh, YR; Tee, DHY; Ong, E; Retna, P; Dinie, N; Kwek, P; Wee, JLK; Manoharan, V; Low, CB; Seah, PG; Pendharkar, V; Sangthongpitag, K; Joy, J; Baburajendran, N; Jansson, AE; Nacro, K; Hill, J; Keller, TH; Hung, AW Stepwise Evolution of Fragment Hits against MAPK Interacting Kinases 1 and 2. J Med Chem63:621-637 (2020) [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 |
Synonyms: | CP2D6_HUMAN | CYP2D6 | CYP2DL1 | CYPIID6 | Cytochrome P450 2D6 (CYP2D6) | Debrisoquine 4-hydroxylase | P450-DB1 |
Type: | Protein |
Mol. Mass.: | 55774.82 |
Organism: | Homo sapiens (Human) |
Description: | P10635 |
Residue: | 497 |
Sequence: | MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQ
LRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVF
LARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDK
AVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKV
LRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVA
DLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVI
HEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHF
LDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGV
FAFLVSPSPYELCAVPR
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BDBM50520253 |
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n/a |
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Name | BDBM50520253 |
Synonyms: | CHEMBL4587832 |
Type | Small organic molecule |
Emp. Form. | C21H22N4O3 |
Mol. Mass. | 378.4244 |
SMILES | CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)-c1cnn(c1)C1COC1 |
Structure |
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