| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 2C9 |
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| Ligand | BDBM50090677 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1869495 (CHEMBL4370561) |
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| IC50 | 847±n/a nM |
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| Citation |  Huang, B; Chen, W; Zhao, T; Li, Z; Jiang, X; Ginex, T; Vílchez, D; Luque, FJ; Kang, D; Gao, P; Zhang, J; Tian, Y; Daelemans, D; De Clercq, E; Pannecouque, C; Zhan, P; Liu, X Exploiting the Tolerant Region I of the Non-Nucleoside Reverse Transcriptase Inhibitor (NNRTI) Binding Pocket: Discovery of Potent Diarylpyrimidine-Typed HIV-1 NNRTIs against Wild-Type and E138K Mutant Virus with Significantly Improved Water Solubility and Favorable Safety Profiles. J Med Chem62:2083-2098 (2019) [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 |
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| 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 |
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| Type: | Enzyme |
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| Mol. Mass.: | 55636.33 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P11712 |
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| Residue: | 490 |
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| Sequence: | MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKV
YGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKW
KEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICS
IIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFM
KSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTE
TTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYID
LLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFK
KSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVP
PFYQLCFIPV
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| BDBM50090677 |
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| n/a |
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| Name | BDBM50090677 |
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| Synonyms: | 4-Amino-N-(2-phenyl-2H-pyrazol-3-yl)-benzenesulfonamide | 4-amino-N-(1-phenyl-1H-pyrazol-5-yl)benzenesulfonamide | CHEMBL1109 | SULFAPHENAZOLE | Sulfabid | Sulphaphenazole | US9180183, Sulfaphenazole |
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| Type | Small organic molecule |
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| Emp. Form. | C15H14N4O2S |
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| Mol. Mass. | 314.362 |
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| SMILES | Nc1ccc(cc1)S(=O)(=O)Nc1ccnn1-c1ccccc1 |
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| Structure | 
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