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Target
Cytochrome P450 2C9
Ligand
BDBM50313661
Substrate
n/a
Meas. Tech.
ChEMBL_624625 (CHEMBL1111585)
IC50
>10000±n/a nM
Citation
 Lesuisse, D; Tiraboschi, G; Krick, A; Abecassis, PY; Dutruc-Rosset, G; Babin, D; Halley, F; Châtreau, F; Lachaud, S; Chevalier, A; Quarteronet, D; Burgevin, MC; Amara, C; Bertrand, P; Rooney, T Design of potent and selective GSK3beta inhibitors with acceptable safety profile and pharmacokinetics. Bioorg Med Chem Lett 20:2344-9 (2010) [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:
BDBM50313661
Synonyms:
CHEMBL1095040 | N-(6-chloro-5-phenyl-1H-indazol-3-yl)butanamide | N-(6-chloro-5-phenyl-1H-indazol-3-yl)butyramide
Type:
Small organic molecule
Emp. Form.:
C17H16ClN3O
Mol. Mass.:
313.781
SMILES:
CCCC(=O)Nc1n[nH]c2cc(Cl)c(cc12)-c1ccccc1
Structure:
Search PDB for entries with ligand similarity: