Reaction Details Report a problem with these data
Target
Cytochrome P450 2C9
Ligand
BDBM50545573
Substrate
n/a
Meas. Tech.
ChEMBL_1996015 (CHEMBL4629910)
IC50
6000±n/a nM
Citation
 Fromont, C; Atzori, A; Kaur, D; Hashmi, L; Greco, G; Cabanillas, A; Nguyen, HV; Jones, DH; Garzón, M; Varela, A; Stevenson, B; Iacobini, GP; Lenoir, M; Rajesh, S; Box, C; Kumar, J; Grant, P; Novitskaya, V; Morgan, J; Sorrell, FJ; Redondo, C; Kramer, A; Harris, CJ; Leighton, B; Vickers, SP; Cheetham, SC; Kenyon, C; Grabowska, AM; Overduin, M; Berditchevski, F; Weston, CJ; Knapp, S; Fischer, PM; Butterworth, S Discovery of Highly Selective Inhibitors of Calmodulin-Dependent Kinases That Restore Insulin Sensitivity in the Diet-Induced Obesity  J Med Chem 63:6784-6801 (2020) [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:
BDBM50545573
Synonyms:
CHEMBL4635883 | US11530193, Example 54
Type:
Small organic molecule
Emp. Form.:
C21H31N7O
Mol. Mass.:
397.5171
SMILES:
CC(C)c1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cc(n1)C(C)C |r|
Structure:
Search PDB for entries with ligand similarity: