Reaction Details |
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Target | Cytochrome P450 3A4 |
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Ligand | BDBM50362106 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_813719 (CHEMBL2019921) |
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IC50 | >20000±n/a nM |
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Citation | Huang, X; Shipps, GW; Cheng, CC; Spacciapoli, P; Zhang, X; McCoy, MA; Wyss, DF; Yang, X; Achab, A; Soucy, K; Montavon, DK; Murphy, DM; Whitehurst, CE Discovery and Hit-to-Lead Optimization of Non-ATP Competitive MK2 (MAPKAPK2) Inhibitors. ACS Med Chem Lett2:632-637 (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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BDBM50362106 |
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n/a |
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Name | BDBM50362106 |
Synonyms: | CHEMBL1938681 |
Type | Small organic molecule |
Emp. Form. | C27H25ClN4O2 |
Mol. Mass. | 472.966 |
SMILES | Clc1ccc(cc1)-c1ccc(o1)C(=O)N(Cc1ccccn1)c1ccc(cc1)N1CCNCC1 |
Structure |
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