Reaction Details Report a problem with these data
Target
Cytochrome P450 2C9
Ligand
BDBM50437760
Substrate
n/a
Meas. Tech.
ChEMBL_973420 (CHEMBL2410299)
IC50
>10000±n/a nM
Citation
 De Savi, C; Waterson, D; Pape, A; Lamont, S; Hadley, E; Mills, M; Page, KM; Bowyer, J; Maciewicz, RA Hydantoin based inhibitors of MMP13--discovery of AZD6605. Bioorg Med Chem Lett 23:4705-12 (2013) [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:
BDBM50437760
Synonyms:
CHEMBL2409676
Type:
Small organic molecule
Emp. Form.:
C19H21F3N6O6S
Mol. Mass.:
518.467
SMILES:
C[C@]1(CS(=O)(=O)N2CCN(CC2)c2ncc(OCc3ccc(o3)C(F)(F)F)cn2)NC(=O)NC1=O |r|
Structure:
Search PDB for entries with ligand similarity: