| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 2C9 |
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| Ligand | BDBM50019654 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1863174 (CHEMBL4364030) |
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| IC50 | >50000±n/a nM |
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| Citation |  R, MM; Shandil, R; Panda, M; Sadler, C; Ambady, A; Panduga, V; Kumar, N; Mahadevaswamy, J; Sreenivasaiah, M; Narayan, A; Guptha, S; Sharma, S; Sambandamurthy, VK; Ramachandran, V; Mallya, M; Cooper, C; Mdluli, K; Butler, S; Tommasi, R; Iyer, PS; Narayanan, S; Chatterji, M; Shirude, PS Scaffold Morphing To Identify Novel DprE1 Inhibitors with Antimycobacterial Activity. ACS Med Chem Lett10:1480-1485 (2019) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Cytochrome P450 2C9 |
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| Name: | Cytochrome P450 2C9 |
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| Synonyms: | (R)-limonene 6-monooxygenase | (S)-limonene 6-monooxygenase | CP2C9_HUMAN | CYP2C10 | CYP2C9 | CYPIIC9 | Cytochrome P450 2C9 (CYP2C9 ) | Cytochrome P450 2C9 (CYP2C9) | P-450MP | P450 MP-4/MP-8 | P450 PB-1 | S-mephenytoin 4-hydroxylase |
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| Type: | Enzyme |
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| Mol. Mass.: | 55636.33 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P11712 |
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| Residue: | 490 |
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| Sequence: | MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKV
YGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKW
KEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICS
IIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFM
KSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTE
TTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYID
LLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFK
KSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVP
PFYQLCFIPV
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| BDBM50019654 |
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| n/a |
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| Name | BDBM50019654 |
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| Synonyms: | CHEMBL3109802 |
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| Type | Small organic molecule |
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| Emp. Form. | C18H21N5O3 |
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| Mol. Mass. | 355.391 |
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| SMILES | COc1ncnc(Cn2cc(C(=O)NCCO)c3ncc(C)cc23)c1C |
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| Structure | 
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