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Target
Cytochrome P450 2C9
Ligand
BDBM50261096
Substrate
n/a
Meas. Tech.
ChEBML_1695590
IC50
>20000±n/a nM
Citation
 Wu, YJ; Guernon, J; McClure, A; Luo, G; Rajamani, R; Ng, A; Easton, A; Newton, A; Bourin, C; Parker, D; Mosure, K; Barnaby, O; Soars, MG; Knox, RJ; Matchett, M; Pieschl, R; Herrington, J; Chen, P; Sivarao, DV; Bristow, LJ; Meanwell, NA; Bronson, J; Olson, R; Thompson, LA; Dzierba, C Discovery of non-zwitterionic aryl sulfonamides as Na Bioorg Med Chem 25:5490-5505 (2017) [PubMed]  Article 
Target
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:
MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKVYGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFMKSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYIDLLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFKKSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVPPFYQLCFIPV
  
Inhibitor
Name:
BDBM50261096
Synonyms:
CHEMBL4075332 | US10836758, Example 73
Type:
Small organic molecule
Emp. Form.:
C16H19ClFN3O4S3
Mol. Mass.:
467.986
SMILES:
Fc1cc(NCCC2CCS(=O)(=O)CC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Structure:
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