Reaction Details |
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Target | Cytochrome P450 2C9 |
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Ligand | BDBM50318666 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_633293 (CHEMBL1119997) |
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IC50 | 5420±n/a nM |
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Citation | Yeung, BK; Zou, B; Rottmann, M; Lakshminarayana, SB; Ang, SH; Leong, SY; Tan, J; Wong, J; Keller-Maerki, S; Fischli, C; Goh, A; Schmitt, EK; Krastel, P; Francotte, E; Kuhen, K; Plouffe, D; Henson, K; Wagner, T; Winzeler, EA; Petersen, F; Brun, R; Dartois, V; Diagana, TT; Keller, TH Spirotetrahydro beta-carbolines (spiroindolones): a new class of potent and orally efficacious compounds for the treatment of malaria. J Med Chem53:5155-64 (2010) [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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BDBM50318666 |
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n/a |
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Name | BDBM50318666 |
Synonyms: | (1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-tetrahydrospiro-[beta-carboline-1,3'-indol]-2'(1'H)-one | CHEMBL1082723 | NITD609 |
Type | Small organic molecule |
Emp. Form. | C19H14Cl2FN3O |
Mol. Mass. | 390.238 |
SMILES | C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r| |
Structure |
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