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Target
Cytochrome P450 2C9
Ligand
BDBM50454785
Substrate
n/a
Meas. Tech.
ChEMBL_2298665
IC50
2700±n/a nM
Citation
 Markwalder, JA; Balog, AJ; Williams, DK; Nara, SJ; Reddy, R; Roy, S; Kanyaboina, Y; Li, X; Johnston, K; Fan, Y; Lewis, H; Marsilio, F; Yan, C; Critton, D; Newitt, JA; Traeger, SC; Wu, DR; Jure-Kunkel, MN; Jayaraman, L; Lin, TA; Sinz, MW; Hunt, JT; Seitz, SP Synthesis and biological evaluation of biaryl alkyl ethers as inhibitors of IDO1. Bioorg Med Chem Lett 88:0 (2023) [PubMed]
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:
BDBM50454785
Synonyms:
CHEMBL4207581
Type:
Small organic molecule
Emp. Form.:
C29H35N7O
Mol. Mass.:
497.6345
SMILES:
CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1-c1nnn[nH]1
Structure:
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