Reaction Details |
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Target | Cytochrome P450 2C9 |
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Ligand | BDBM50569639 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2109872 (CHEMBL4818547) |
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IC50 | 1600±n/a nM |
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Citation | Beshore, DC; Adam, GC; Barnard, RJO; Burlein, C; Gallicchio, SN; Holloway, MK; Krosky, D; Lemaire, W; Myers, RW; Patel, S; Plotkin, MA; Powell, DA; Rada, V; Cox, CD; Coleman, PJ; Klein, DJ; Wolkenberg, SE Redefining the Histone Deacetylase Inhibitor Pharmacophore: High Potency with No Zinc Cofactor Interaction. ACS Med Chem Lett12:540-547 (2021) [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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BDBM50569639 |
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n/a |
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Name | BDBM50569639 |
Synonyms: | CHEMBL4858081 |
Type | Small organic molecule |
Emp. Form. | C29H31N5O3 |
Mol. Mass. | 497.5881 |
SMILES | CCCC[C@H](NC(=O)Cc1c[nH]c2ccc(OC)cc12)c1ncc([nH]1)-c1cc2ccccc2nc1OC |r| |
Structure |
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