Reaction Details |
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Target | Cytochrome P450 2C9 |
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Ligand | BDBM50138611 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEBML_51528 |
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IC50 | >100000±n/a nM |
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Citation | Koltun, DO; Marquart, TA; Shenk, KD; Elzein, E; Li, Y; Nguyen, M; Kerwar, S; Zeng, D; Chu, N; Soohoo, D; Hao, J; Maydanik, VY; Lustig, DA; Ng, KJ; Fraser, H; Zablocki, JA New fatty acid oxidation inhibitors with increased potency lacking adverse metabolic and electrophysiological properties. Bioorg Med Chem Lett14:549-52 (2003) [PubMed] |
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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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BDBM50138611 |
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n/a |
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Name | BDBM50138611 |
Synonyms: | CHEMBL150614 | N-(9-Ethyl-9H-carbazol-3-yl)-2-{4-[(R)-2-hydroxy-3-(2-methyl-benzothiazol-5-yloxy)-propyl]-piperazin-1-yl}-acetamide |
Type | Small organic molecule |
Emp. Form. | C31H35N5O3S |
Mol. Mass. | 557.706 |
SMILES | CCn1c2ccccc2c2cc(NC(=O)CN3CCN(C[C@@H](O)COc4ccc5sc(C)nc5c4)CC3)ccc12 |
Structure |
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