Reaction Details |
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Target | Cytochrome P450 3A4 |
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Ligand | BDBM50455589 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1754798 (CHEMBL4189558) |
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IC50 | 3600±n/a nM |
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Citation | Kwiatkowski, J; Liu, B; Tee, DHY; Chen, G; Ahmad, NHB; Wong, YX; Poh, ZY; Ang, SH; Tan, ESW; Ong, EH; Nurul Dinie, na; Poulsen, A; Pendharkar, V; Sangthongpitag, K; Lee, MA; Sepramaniam, S; Ho, SY; Cherian, J; Hill, J; Keller, TH; Hung, AW Fragment-Based Drug Discovery of Potent Protein Kinase C Iota Inhibitors. J Med Chem61:4386-4396 (2018) [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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BDBM50455589 |
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n/a |
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Name | BDBM50455589 |
Synonyms: | CHEMBL4213984 |
Type | Small organic molecule |
Emp. Form. | C23H19N5O |
Mol. Mass. | 381.4299 |
SMILES | COc1cc2CNCc2cc1-n1cnc2ccc(cc12)-c1ccnc2[nH]ccc12 |
Structure |
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