Reaction Details |
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Target | Cytochrome P450 3A4 |
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Ligand | BDBM50183239 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_355280 (CHEMBL853201) |
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IC50 | 5300±n/a nM |
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Citation | Mulvihill, MJ; Kan, JL; Cooke, A; Bhagwat, S; Beck, P; Bittner, M; Cesario, C; Keane, D; Lazarescu, V; Nigro, A; Nillson, C; Panicker, B; Smith, V; Srebernak, M; Sun, FL; O'Connor, M; Russo, S; Fischetti, G; Vrkljan, M; Winski, S; Castelhano, AL; Emerson, D; Gibson, NW 3-[6-(2-Dimethylamino-1-imidazol-1-yl-butyl)-naphthalen-2-yloxy]-2,2-dimethyl-propionic acid as a highly potent and selective retinoic acid metabolic blocking agent. Bioorg Med Chem Lett16:2729-33 (2006) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Cytochrome P450 3A4 |
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Name: | Cytochrome P450 3A4 |
Synonyms: | Albendazole monooxygenase | Albendazole sulfoxidase | CP3A4_HUMAN | CYP3A3 | CYP3A4 | CYPIIIA3 | CYPIIIA4 | Cytochrome P450 3A3 | Cytochrome P450 3A4 (CYP3A4) | Cytochrome P450 HLp | Nifedipine oxidase | Quinine 3-monooxygenase | Taurochenodeoxycholate 6-alpha-hydroxylase |
Type: | Enzyme |
Mol. Mass.: | 57349.57 |
Organism: | Homo sapiens (Human) |
Description: | n/a |
Residue: | 503 |
Sequence: | MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMF
DMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISI
AEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYS
MDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICV
FPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSI
IFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVV
NETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFS
KKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLG
GLLQPEKPVVLKVESRDGTVSGA
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BDBM50183239 |
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n/a |
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Name | BDBM50183239 |
Synonyms: | 2-((6-((1R,2R)-2-(dimethylamino)-1-(1H-imidazol-1-yl)propyl)naphthalen-2-yloxy)methyl)-2-ethylbutanoic acid | CHEMBL377286 |
Type | Small organic molecule |
Emp. Form. | C25H33N3O3 |
Mol. Mass. | 423.5478 |
SMILES | CCC(CC)(COc1ccc2cc(ccc2c1)[C@H]([C@@H](C)N(C)C)n1ccnc1)C(O)=O |
Structure |
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