Reaction Details |
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Target | Cytochrome P450 3A4 |
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Ligand | BDBM50019654 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1863177 (CHEMBL4364033) |
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IC50 | >50000±n/a nM |
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Citation | R, MM; Shandil, R; Panda, M; Sadler, C; Ambady, A; Panduga, V; Kumar, N; Mahadevaswamy, J; Sreenivasaiah, M; Narayan, A; Guptha, S; Sharma, S; Sambandamurthy, VK; Ramachandran, V; Mallya, M; Cooper, C; Mdluli, K; Butler, S; Tommasi, R; Iyer, PS; Narayanan, S; Chatterji, M; Shirude, PS Scaffold Morphing To Identify Novel DprE1 Inhibitors with Antimycobacterial Activity. ACS Med Chem Lett10:1480-1485 (2019) [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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BDBM50019654 |
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n/a |
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Name | BDBM50019654 |
Synonyms: | CHEMBL3109802 |
Type | Small organic molecule |
Emp. Form. | C18H21N5O3 |
Mol. Mass. | 355.391 |
SMILES | COc1ncnc(Cn2cc(C(=O)NCCO)c3ncc(C)cc23)c1C |
Structure |
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