Reaction Details |
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Target | Cytochrome P450 3A4 |
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Ligand | BDBM198728 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEBML_1734353 |
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IC50 | >18000±n/a nM |
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Citation | Marcin, LR; Warrier, J; Thangathirupathy, S; Shi, J; Karageorge, GN; Pearce, BC; Ng, A; Park, H; Kempson, J; Li, J; Zhang, H; Mathur, A; Reddy, AB; Nagaraju, G; Tonukunuru, G; Gupta, GVRKM; Kamble, M; Mannoori, R; Cheruku, S; Jogi, S; Gulia, J; Bastia, T; Sanmathi, C; Aher, J; Kallem, R; Srikumar, BN; Vijaya, KK; Naidu, PS; Paschapur, M; Kalidindi, N; Vikramadithyan, R; Ramarao, M; Denton, R; Molski, T; Shields, E; Subramanian, M; Zhuo, X; Nophsker, M; Simmermacher, J; Sinz, M; Albright, C; Bristow, LJ; Islam, I; Bronson, JJ; Olson, RE; King, D; Thompson, LA; Macor, JE BMS-986163, a Negative Allosteric Modulator of GluN2B with Potential Utility in Major Depressive Disorder. ACS Med Chem Lett9:472-477 (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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BDBM198728 |
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n/a |
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Name | BDBM198728 |
Synonyms: | US9221796, 46, P-4 |
Type | Small organic molecule |
Emp. Form. | C23H27FN2O2 |
Mol. Mass. | 382.4711 |
SMILES | Cc1ccc(CN2CC[C@@H](N3CC[C@H]([C@H](F)C3)c3ccc(O)cc3)C2=O)cc1 |r| |
Structure |
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