Reaction Details Report a problem with these data
Target
Cytochrome P450 2C9
Ligand
BDBM50518702
Substrate
n/a
Meas. Tech.
ChEMBL_1872182 (CHEMBL4373349)
IC50
1000±n/a nM
Citation
 Poslusney, MS; Salovich, JM; Wood, MR; Melancon, BJ; Bollinger, KA; Luscombe, VB; Rodriguez, AL; Engers, DW; Bridges, TM; Niswender, CM; Conn, PJ; Lindsley, CW Novel M Bioorg Med Chem Lett 29:362-366 (2019) [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:
BDBM50518702
Synonyms:
CHEMBL4576513
Type:
Small organic molecule
Emp. Form.:
C16H15ClN4OS
Mol. Mass.:
346.835
SMILES:
Cc1nc2sc3c(NCc4ccco4)nn(C)c3c2c(C)c1Cl
Structure:
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