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Target
Cytochrome P450 2C9
Ligand
BDBM50207463
Substrate
n/a
Meas. Tech.
ChEMBL_1631997 (CHEMBL3874703)
IC50
>30000±n/a nM
Citation
 Wood, MR; Noetzel, MJ; Poslusney, MS; Melancon, BJ; Tarr, JC; Lamsal, A; Chang, S; Luscombe, VB; Weiner, RL; Cho, HP; Bubser, M; Jones, CK; Niswender, CM; Wood, MW; Engers, DW; Brandon, NJ; Duggan, ME; Conn, PJ; Bridges, TM; Lindsley, CW Challenges in the development of an M Bioorg Med Chem Lett 27:171-175 (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:
BDBM50207463
Synonyms:
CHEMBL3963788
Type:
Small organic molecule
Emp. Form.:
C17H16F2N4O3S2
Mol. Mass.:
426.461
SMILES:
Cc1nnc2sc(C(=O)NCc3ccc(cc3)S(=O)(=O)C(F)F)c(N)c2c1C
Structure:
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