Reaction Details |
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Target | Cytochrome P450 2C9 |
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Ligand | BDBM50174737 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1579473 (CHEMBL3810542) |
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IC50 | 5800±n/a nM |
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Citation | Wood, MR; Noetzel, MJ; Engers, JL; Bollinger, KA; Melancon, BJ; Tarr, JC; Han, C; West, M; Gregro, AR; Lamsal, A; Chang, S; Ajmera, S; Smith, E; Chase, P; Hodder, PS; Bubser, M; Jones, CK; Hopkins, CR; Emmitte, KA; Niswender, CM; Wood, MW; Duggan, ME; Conn, PJ; Bridges, TM; Lindsley, CW Discovery and optimization of a novel series of highly CNS penetrant M4 PAMs based on a 5,6-dimethyl-4-(piperidin-1-yl)thieno[2,3-d]pyrimidine core. Bioorg Med Chem Lett26:3029-33 (2016) [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 |
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 |
Type: | Enzyme |
Mol. Mass.: | 55636.33 |
Organism: | Homo sapiens (Human) |
Description: | P11712 |
Residue: | 490 |
Sequence: | MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKV
YGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKW
KEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICS
IIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFM
KSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTE
TTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYID
LLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFK
KSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVP
PFYQLCFIPV
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BDBM50174737 |
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n/a |
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Name | BDBM50174737 |
Synonyms: | CHEMBL1357034 |
Type | Small organic molecule |
Emp. Form. | C20H23N5O3S2 |
Mol. Mass. | 445.558 |
SMILES | Cc1sc2ncnc(N3CCC(CC3)C(=O)Nc3ccc(cc3)S(N)(=O)=O)c2c1C |
Structure |
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