| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 3A4/3A5 |
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| Ligand | BDBM276748 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2187633 (CHEMBL5099715) |
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| IC50 | >30000±n/a nM |
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| Citation |  Futatsugi, K; Cabral, S; Kung, DW; Huard, K; Lee, E; Boehm, M; Bauman, J; Clark, RW; Coffey, SB; Crowley, C; Dechert-Schmitt, AM; Dowling, MS; Dullea, R; Gosset, JR; Kalgutkar, AS; Kou, K; Li, Q; Lian, Y; Loria, PM; Londregan, AT; Niosi, M; Orozco, C; Pettersen, JC; Pfefferkorn, JA; Polivkova, J; Ross, TT; Sharma, R; Stock, IA; Tesz, G; Wisniewska, H; Goodwin, B; Price, DA Discovery of Ervogastat (PF-06865571): A Potent and Selective Inhibitor of Diacylglycerol Acyltransferase 2 for the Treatment of Non-alcoholic Steatohepatitis. J Med Chem65:15000-15013 (2022) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Cytochrome P450 3A4/3A5 |
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| Name: | Cytochrome P450 3A4/3A5 |
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| Synonyms: | CYP3A-M |
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| Type: | PROTEIN |
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| Mol. Mass.: | n/a |
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| Description: | n/a |
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| Components: | This complex has 2 components. |
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| Component 1 |
| Name: | Cytochrome P450 3A4 |
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| 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 |
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| Type: | Enzyme |
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| Mol. Mass.: | 57349.57 |
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| Organism: | Homo sapiens (Human) |
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| Description: | n/a |
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| Residue: | 503 |
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| Sequence: | MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMF
DMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISI
AEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYS
MDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICV
FPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSI
IFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVV
NETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFS
KKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLG
GLLQPEKPVVLKVESRDGTVSGA
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| Component 2 |
| Name: | Cytochrome P450 3A5 |
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| Synonyms: | CP3A5_HUMAN | CYP3A5 | Cytochrome P450 3A5 | Cytochrome P450 3A5 (CYP3A5) |
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| Type: | Protein |
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| Mol. Mass.: | 57118.00 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P20815 |
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| Residue: | 502 |
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| Sequence: | MDLIPNLAVETWLLLAVSLVLLYLYGTRTHGLFKRLGIPGPTPLPLLGNVLSYRQGLWKF
DTECYKKYGKMWGTYEGQLPVLAITDPDVIRTVLVKECYSVFTNRRSLGPVGFMKSAISL
AEDEEWKRIRSLLSPTFTSGKLKEMFPIIAQYGDVLVRNLRREAEKGKPVTLKDIFGAYS
MDVITGTSFGVNIDSLNNPQDPFVESTKKFLKFGFLDPLFLSIILFPFLTPVFEALNVSL
FPKDTINFLSKSVNRMKKSRLNDKQKHRLDFLQLMIDSQNSKETESHKALSDLELAAQSI
IFIFAGYETTSSVLSFTLYELATHPDVQQKLQKEIDAVLPNKAPPTYDAVVQMEYLDMVV
NETLRLFPVAIRLERTCKKDVEINGVFIPKGSMVVIPTYALHHDPKYWTEPEEFRPERFS
KKKDSIDPYIYTPFGTGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLDTQG
LLQPEKPIVLKVDSRDGTLSGE
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| BDBM276748 |
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| n/a |
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| Name | BDBM276748 |
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| Synonyms: | US10071992, Example 3.5 | US10071992, Example 5 | US11034678, Example 5 |
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| Type | Small organic molecule |
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| Emp. Form. | C21H23N5O4 |
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| Mol. Mass. | 409.4384 |
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| SMILES | CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)NC(C)(C)CO |
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| Structure | 
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