Reaction Details |
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Target | Cytochrome P450 3A4 |
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Ligand | BDBM50583310 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2157019 (CHEMBL5041679) |
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IC50 | >30000±n/a nM |
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Citation | Ottavi, S; Scarry, SM; Mosior, J; Ling, Y; Roberts, J; Singh, A; Zhang, D; Goullieux, L; Roubert, C; Bacqué, E; Lagiakos, HR; Vendome, J; Moraca, F; Li, K; Perkowski, AJ; Ramesh, R; Bowler, MM; Tracy, W; Feher, VA; Sacchettini, JC; Gold, BS; Nathan, CF; Aubé, J In Vitro and In Vivo Inhibition of the J Med Chem65:1996-2022 (2022) [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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BDBM50583310 |
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n/a |
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Name | BDBM50583310 |
Synonyms: | CHEMBL5082711 |
Type | Small organic molecule |
Emp. Form. | C14H22N4O |
Mol. Mass. | 262.3507 |
SMILES | CCNC(=N)NC(=O)Nc1c(CC)cccc1CC |
Structure |
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