Reaction Details |
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Target | Cytochrome P450 3A4 |
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Ligand | BDBM50198939 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_716717 (CHEMBL1670542) |
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IC50 | >30000±n/a nM |
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Citation | Nishizawa, R; Nishiyama, T; Hisaichi, K; Minamoto, C; Matsunaga, N; Takaoka, Y; Nakai, H; Jenkinson, S; Kazmierski, WM; Tada, H; Sagawa, K; Shibayama, S; Fukushima, D; Maeda, K; Mitsuya, H Spirodiketopiperazine-based CCR5 antagonist: discovery of an antiretroviral drug candidate. Bioorg Med Chem Lett21:1141-5 (2011) [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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BDBM50198939 |
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n/a |
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Name | BDBM50198939 |
Synonyms: | (R)-1-butyl-3-((R)-1-hydroxy-2-methyl-propyl)-9-(4-phenoxy-benzyl)-1,4,9-triaza-spiro[5.5]undecane-2,5-dione hydrochloride | CHEMBL559168 |
Type | Small organic molecule |
Emp. Form. | C29H39N3O4 |
Mol. Mass. | 493.6377 |
SMILES | CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)[C@H](O)C(C)C |
Structure |
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