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TargetCytochrome P450 2C9
LigandBDBM50614699
Substrate/Competitorn/a
Meas. Tech.ChEMBL_2298657
IC50 1800±n/a nM
Citation Markwalder, JABalog, AJWilliams, DKNara, SJReddy, RRoy, SKanyaboina, YLi, XJohnston, KFan, YLewis, HMarsilio, FYan, CCritton, DNewitt, JATraeger, SCWu, DRJure-Kunkel, MNJayaraman, LLin, TASinz, MWHunt, JTSeitz, SP Synthesis and biological evaluation of biaryl alkyl ethers as inhibitors of IDO1. Bioorg Med Chem Lett88:0 (2023) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Cytochrome P450 2C9
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:
MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKV
YGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKW
KEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICS
IIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFM
KSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTE
TTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYID
LLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFK
KSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVP
PFYQLCFIPV
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50614699
n/a
NameBDBM50614699
Synonyms:CHEMBL5267732
TypeSmall organic molecule
Emp. Form.C28H32N6O2
Mol. Mass.484.5927
SMILESCCCC(CCC)Oc1ccc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1-c1nn[nH]n1
Structure
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