Reaction Details |
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Target | Cytochrome P450 3A4 |
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Ligand | BDBM50024242 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1435228 (CHEMBL3390674) |
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IC50 | >10000±n/a nM |
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Citation | Sun, S; Jia, Q; Zenova, AY; Chafeev, M; Zhang, Z; Lin, S; Kwan, R; Grimwood, ME; Chowdhury, S; Young, C; Cohen, CJ; Oballa, RM The discovery of benzenesulfonamide-based potent and selective inhibitors of voltage-gated sodium channel Na(v)1.7. Bioorg Med Chem Lett24:4397-401 (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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BDBM50024242 |
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n/a |
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Name | BDBM50024242 |
Synonyms: | CHEMBL3325551 |
Type | Small organic molecule |
Emp. Form. | C22H20ClF3N4O3S |
Mol. Mass. | 512.932 |
SMILES | Fc1cnc(NS(=O)(=O)c2cc(F)c(OC[C@H]3CNCC[C@@H]3c3ccc(Cl)cc3)cc2F)nc1 |r| |
Structure |
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