Reaction Details |
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Target | Cytochrome P450 2C19 |
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Ligand | BDBM50169438 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1578013 (CHEMBL3806762) |
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IC50 | >10000±n/a nM |
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Citation | Focken, T; Liu, S; Chahal, N; Dauphinais, M; Grimwood, ME; Chowdhury, S; Hemeon, I; Bichler, P; Bogucki, D; Waldbrook, M; Bankar, G; Sojo, LE; Young, C; Lin, S; Shuart, N; Kwan, R; Pang, J; Chang, JH; Safina, BS; Sutherlin, DP; Johnson, JP; Dehnhardt, CM; Mansour, TS; Oballa, RM; Cohen, CJ; Robinette, CL Discovery of Aryl Sulfonamides as Isoform-Selective Inhibitors of NaV1.7 with Efficacy in Rodent Pain Models. ACS Med Chem Lett7:277-82 (2016) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Cytochrome P450 2C19 |
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Name: | Cytochrome P450 2C19 |
Synonyms: | (R)-limonene 6-monooxygenase | (S)-limonene 6-monooxygenase | (S)-limonene 7-monooxygenase | CP2CJ_HUMAN | CYP2C19 | CYPIIC17 | CYPIIC19 | Cytochrome P450 2C19 (CYP2C19) | Cytochrome P450 2C19 [I331V] | Cytochrome P450-11A | Cytochrome P450-254C | Fenbendazole monooxygenase (4'-hydroxylating) | Mephenytoin 4-hydroxylase | P450-11A | P450-254C |
Type: | Enzyme |
Mol. Mass.: | 55935.47 |
Organism: | Homo sapiens (Human) |
Description: | P33261 |
Residue: | 490 |
Sequence: | MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDVSKSLTNLSKI
YGPVFTLYFGLERMVVLHGYEVVKEALIDLGEEFSGRGHFPLAERANRGFGIVFSNGKRW
KEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICS
IIFQKRFDYKDQQFLNLMEKLNENIRIVSTPWIQICNNFPTIIDYFPGTHNKLLKNLAFM
ESDILEKVKEHQESMDINNPRDFIDCFLIKMEKEKQNQQSEFTIENLVITAADLLGAGTE
TTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRGHMPYTDAVVHEVQRYID
LIPTSLPHAVTCDVKFRNYLIPKGTTILTSLTSVLHDNKEFPNPEMFDPRHFLDEGGNFK
KSNYFMPFSAGKRICVGEGLARMELFLFLTFILQNFNLKSLIDPKDLDTTPVVNGFASVP
PFYQLCFIPV
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BDBM50169438 |
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n/a |
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Name | BDBM50169438 |
Synonyms: | CHEMBL3804898 | US9481677, 63 |
Type | Small organic molecule |
Emp. Form. | C23H14ClF2N5O4S |
Mol. Mass. | 529.903 |
SMILES | Nc1noc2ccc(cc12)-c1cc(Cl)ccc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncccn1 |
Structure |
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