Reaction Details |
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Target | Cytochrome P450 2C9 |
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Ligand | BDBM50361053 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_796321 (CHEMBL1937636) |
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IC50 | 1900±n/a nM |
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Citation | Sundar, BG; Bailey, TR; Dunn, DD; Bacon, ER; Salvino, JM; Morton, GC; Aimone, LD; Zeqi, H; Mathiasen, JR; Dicamillo, A; Huffman, MJ; McKenna, BA; Kopec, K; Lu, LD; Brown, R; Qian, J; Angeles, T; Connors, T; Spais, C; Holskin, B; Galinis, D; Duzic, E; Schaffhauser, H; Rosse, GC Novel brain penetrant benzofuropiperidine 5-HT6 receptor antagonists. Bioorg Med Chem Lett22:120-3 (2011) [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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BDBM50361053 |
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n/a |
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Name | BDBM50361053 |
Synonyms: | CHEMBL1935601 |
Type | Small organic molecule |
Emp. Form. | C21H20FNO4S |
Mol. Mass. | 401.451 |
SMILES | Fc1cccc(c1)S(=O)(=O)c1ccc2c3CCNC4(CCCOC4)c3oc2c1 |
Structure |
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