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Target
Cytochrome P450 2C9
Ligand
BDBM50517811
Substrate
n/a
Meas. Tech.
ChEMBL_1869831 (CHEMBL4370897)
IC50
8600±n/a nM
Citation
 Lesuisse, D; Malanda, A; Peyronel, JF; Evanno, Y; Lardenois, P; De-Peretti, D; Abécassis, PY; Barnéoud, P; Brunel, P; Burgevin, MC; Cegarra, C; Auger, F; Dommergue, A; Lafon, C; Even, L; Tsi, J; Luc, TPH; Almario, A; Olivier, A; Castel, MN; Taupin, V; Rooney, T; Vigé, X Development of a novel NURR1/NOT agonist from hit to lead and candidate for the potential treatment of Parkinson's disease. Bioorg Med Chem Lett 29:929-932 (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:
BDBM50517811
Synonyms:
CHEMBL4576867
Type:
Small organic molecule
Emp. Form.:
C20H15ClN2O
Mol. Mass.:
334.799
SMILES:
OCc1cccc(c1)-c1ccc2nc(cn2c1)-c1ccc(Cl)cc1
Structure:
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