Reaction Details |
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Target | Cytochrome P450 3A4 |
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Ligand | BDBM50204281 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEBML_1627139 |
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IC50 | >50000±n/a nM |
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Citation | Zhu, Y; de Jesus, RK; Tang, H; Walsh, SP; Jiang, J; Gu, X; Teumelsan, N; Shahripour, A; Pio, B; Ding, FX; Ha, S; Priest, BT; Swensen, AM; Alonso-Galicia, M; Felix, JP; Brochu, RM; Bailey, T; Thomas-Fowlkes, B; Zhou, X; Pai, LY; Hampton, C; Hernandez, M; Owens, K; Ehrhart, J; Roy, S; Kaczorowski, GJ; Yang, L; Parmee, ER; Sullivan, K; Garcia, ML; Pasternak, A Discovery of a potent and selective ROMK inhibitor with improved pharmacokinetic properties based on an octahydropyrazino[2,1-c][1,4]oxazine scaffold. Bioorg Med Chem Lett26:5695-5702 (2016) [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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BDBM50204281 |
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n/a |
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Name | BDBM50204281 |
Synonyms: | CHEMBL3933749 |
Type | Small organic molecule |
Emp. Form. | C23H23FN8O2 |
Mol. Mass. | 462.4795 |
SMILES | [H][C@]12CO[C@@H](CN1CCN(C2)C(=O)Cc1ccc(cn1)-n1cnnn1)c1ccc(F)c(C#N)c1C |r| |
Structure |
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