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Target
Cytochrome P450 2C9
Ligand
BDBM50306008
Substrate
n/a
Meas. Tech.
ChEMBL_605685 (CHEMBL1071215)
IC50
30000±n/a nM
Citation
 Gilbert, EJ; Zhou, G; Wong, MK; Tong, L; Shankar, BB; Huang, C; Kelly, J; Lavey, BJ; McCombie, SW; Chen, L; Rizvi, R; Dong, Y; Shu, Y; Kozlowski, JA; Shih, NY; Hipkin, RW; Gonsiorek, W; Malikzay, A; Lunn, CA; Favreau, L; Lundell, DJ Non-aromatic A-ring replacement in the triaryl bis-sulfone CB2 receptor inhibitors. Bioorg Med Chem Lett 20:608-11 (2010) [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:
BDBM50306008
Synonyms:
1,1,1-trifluoro-N-(6-(2-(pyridin-2-ylsulfonyl)-5-(trifluoromethoxy)phenylsulfonyl)-6-azaspiro[2.5]octan-1-yl)methanesulfonamide | CHEMBL595223
Type:
Small organic molecule
Emp. Form.:
C20H19F6N3O7S3
Mol. Mass.:
623.566
SMILES:
FC(F)(F)Oc1ccc(c(c1)S(=O)(=O)N1CCC2(CC2NS(=O)(=O)C(F)(F)F)CC1)S(=O)(=O)c1ccccn1
Structure:
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