Reaction Details |
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Target | Cytochrome P450 3A4 |
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Ligand | BDBM50239252 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1665797 (CHEMBL4015593) |
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IC50 | 4100±n/a nM |
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Citation | Yeung, KS; Beno, BR; Parcella, K; Bender, JA; Grant-Young, KA; Nickel, A; Gunaga, P; Anjanappa, P; Bora, RO; Selvakumar, K; Rigat, K; Wang, YK; Liu, M; Lemm, J; Mosure, K; Sheriff, S; Wan, C; Witmer, M; Kish, K; Hanumegowda, U; Zhuo, X; Shu, YZ; Parker, D; Haskell, R; Ng, A; Gao, Q; Colston, E; Raybon, J; Grasela, DM; Santone, K; Gao, M; Meanwell, NA; Sinz, M; Soars, MG; Knipe, JO; Roberts, SB; Kadow, JF Discovery of a Hepatitis C Virus NS5B Replicase Palm Site Allosteric Inhibitor (BMS-929075) Advanced to Phase 1 Clinical Studies. J Med Chem60:4369-4385 (2017) [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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BDBM50239252 |
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n/a |
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Name | BDBM50239252 |
Synonyms: | CHEMBL4078188 |
Type | Small organic molecule |
Emp. Form. | C32H26FN3O3 |
Mol. Mass. | 519.5655 |
SMILES | CNC(=O)c1c(oc2ccc(cc12)-c1cc(ccc1C)C(=O)NC1(CC1)c1ccccn1)-c1ccc(F)cc1 |
Structure |
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