Reaction Details |
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Target | Cytochrome P450 3A4 |
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Ligand | BDBM50103543 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1434168 (CHEMBL3383976) |
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IC50 | >10000±n/a nM |
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Citation | Scott, JS; Bowker, SS; Brocklehurst, KJ; Brown, HS; Clarke, DS; Easter, A; Ertan, A; Goldberg, K; Hudson, JA; Kavanagh, S; Laber, D; Leach, AG; MacFaul, PA; Martin, EA; McKerrecher, D; Schofield, P; Svensson, PH; Teague, J Circumventing seizure activity in a series of G protein coupled receptor 119 (GPR119) agonists. J Med Chem57:8984-98 (2014) [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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BDBM50103543 |
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n/a |
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Name | BDBM50103543 |
Synonyms: | CHEMBL3358006 |
Type | Small organic molecule |
Emp. Form. | C21H22F4N6O4S |
Mol. Mass. | 530.496 |
SMILES | C[C@@H]1CN(CCN1c1ncc(OCc2ccc(CS(C)(=O)=O)cc2F)cn1)c1nc(no1)C(F)(F)F |r| |
Structure |
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