Reaction Details |
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Target | Cytochrome P450 2D6 |
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Ligand | BDBM50056386 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1451407 (CHEMBL3363967) |
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IC50 | >20000±n/a nM |
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Citation | Voight, EA; Gomtsyan, AR; Daanen, JF; Perner, RJ; Schmidt, RG; Bayburt, EK; DiDomenico, S; McDonald, HA; Puttfarcken, PS; Chen, J; Neelands, TR; Bianchi, BR; Han, P; Reilly, RM; Franklin, PH; Segreti, JA; Nelson, RA; Su, Z; King, AJ; Polakowski, JS; Baker, SJ; Gauvin, DM; Lewis, LR; Mikusa, JP; Joshi, SK; Faltynek, CR; Kym, PR; Kort, ME Discovery of (R)-1-(7-chloro-2,2-bis(fluoromethyl)chroman-4-yl)-3-(3-methylisoquinolin-5-yl)urea (A-1165442): a temperature-neutral transient receptor potential vanilloid-1 (TRPV1) antagonist with analgesic efficacy. J Med Chem57:7412-24 (2014) [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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BDBM50056386 |
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n/a |
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Name | BDBM50056386 |
Synonyms: | CHEMBL3325460 |
Type | Small organic molecule |
Emp. Form. | C23H22F3N3O2 |
Mol. Mass. | 429.4349 |
SMILES | Cc1cc2c(NC(=O)N[C@@H]3CC(C)(C)Oc4cc(ccc34)C(F)(F)F)cccc2cn1 |r| |
Structure |
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