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Target
Cytochrome P450 2C9
Ligand
BDBM50236004
Substrate
n/a
Meas. Tech.
ChEMBL_1660011 (CHEMBL4009623)
IC50
8000±n/a nM
Citation
 Bursavich, MG; Harrison, BA; Acharya, R; Costa, DE; Freeman, EA; Hodgdon, HE; Hrdlicka, LA; Jin, H; Kapadnis, S; Moffit, JS; Murphy, DA; Nolan, S; Patzke, H; Tang, C; Wen, M; Koenig, G; Blain, JF; Burnett, DA Design, Synthesis, and Evaluation of a Novel Series of Oxadiazine Gamma Secretase Modulators for Familial Alzheimer's Disease. J Med Chem 60:2383-2400 (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:
BDBM50236004
Synonyms:
CHEMBL4101809
Type:
Small organic molecule
Emp. Form.:
C21H19N5O3
Mol. Mass.:
389.4073
SMILES:
COc1nc(ccc1-n1cnc(C)c1)C1=NOC[C@@H](N1)c1cc2ccccc2o1 |r,t:16|
Structure:
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