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Target
Cytochrome P450 2C9
Ligand
BDBM50234038
Substrate
n/a
Meas. Tech.
ChEMBL_1652000 (CHEMBL4001255)
IC50
2500±n/a nM
Citation
 Markwalder, JA; Seitz, SP; Blat, Y; Elkin, L; Hunt, JT; Pabalan, JG; Jure-Kunkel, MN; Vite, GD; Covello, K Identification and optimization of a novel series of indoleamine 2,3-dioxygenase inhibitors. Bioorg Med Chem Lett 27:582-585 (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:
BDBM50234038
Synonyms:
CHEMBL4097275
Type:
Small organic molecule
Emp. Form.:
C31H27F3N2O5
Mol. Mass.:
564.5517
SMILES:
CC(C)(C)c1ccccc1Oc1ccc(cc1NC(=O)Nc1ccc(OC(F)(F)F)cc1)-c1cccc(c1)C(O)=O
Structure:
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