Reaction Details |
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Target | Cytochrome P450 2C9 |
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Ligand | BDBM50090674 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_51551 (CHEMBL840930) |
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Ki | 11000±n/a nM |
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Citation | Rao, S; Aoyama, R; Schrag, M; Trager, WF; Rettie, A; Jones, JP A refined 3-dimensional QSAR of cytochrome P450 2C9: computational predictions of drug interactions. J Med Chem43:2789-96 (2000) [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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BDBM50090674 |
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n/a |
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Name | BDBM50090674 |
Synonyms: | CHEMBL267744 | Ticrynafen | Tienilic Acid | [2,3-Dichloro-4-(thiophene-2-carbonyl)-phenoxy]-acetic acid | [2,3-Dichloro-4-(thiophene-2-carbonyl)-phenoxy]-acetic acid (tienilic acid) | [2,3-Dichloro-4-(thiophene-2-carbonyl)-phenoxy]-acetic acid(Tienilic acid) | [2,3-Dichloro-4-(thiophene-2-carbonyl)-phenoxy]-acetic acid(ticrynafen) |
Type | Small organic molecule |
Emp. Form. | C13H8Cl2O4S |
Mol. Mass. | 331.171 |
SMILES | OC(=O)COc1ccc(C(=O)c2cccs2)c(Cl)c1Cl |
Structure |
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