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TargetPregnane X receptor (PXR)
LigandBDBM50177015
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1582651
IC50>10000±n/a nM
Citation Zheng YZhuang LFan KYTice CMZhao WDong CLotesta SDLeftheris KLindblom PRLiu ZShimada JNoto PBMeng SHardy AHoward LKrosky PGuo JLipinski KKandpal GBukhtiyarov YZhao YLala DVan Orden RZhou JChen GWu ZMcKeever BMMcGeehan GMGregg REClaremon DASingh SB Discovery of a Novel, Orally Efficacious Liver X Receptor (LXR) Agonist. J Med Chem 59:3264-71 (2016) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Pregnane X receptor (PXR)
Name:Pregnane X receptor (PXR)
Synonyms:Pregnane X Receptor | nuclear receptor subfamily 1 group I member 2 isoform 1
Type:Nuclear receptor
Mol. Mass.:49774.77
Organism:Homo sapiens (Human)
Description:O75469
Residue:434
Sequence:
MEVRPKESWNHADFVHCEDTESVPGKPSVNADEEVGGPQICRVCGDKATGYHFNVMTCEG
CKGFFRRAMKRNARLRCPFRKGACEITRKTRRQCQACRLRKCLESGMKKEMIMSDEAVEE
RRALIKRKKSERTGTQPLGVQGLTEEQRMMIRELMDAQMKTFDTTFSHFKNFRLPGVLSS
GCELPESLQAPSREEAAKWSQVRKDLCSLKVSLQLRGEDGSVWNYKPPADSGGKEIFSLL
PHMADMSTYMFKGIISFAKVISYFRDLPIEDQISLLKGAAFELCQLRFNTVFNAETGTWE
CGRLSYCLEDTAGGFQQLLLEPMLKFHYMLKKLQLHEEEYVLMQAISLFSPDRPGVLQHR
VVDQLQEQFAITLKSYIECNRPQPAHRFLFLKIMAMLTELRSINAQHTQRLLRIQDIHPF
ATPLMQELFGITGS
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50177015
n/a
NameBDBM50177015
Synonyms:CHEMBL3814206 | US10144715, Compound 19-1
TypeSmall organic molecule
Emp. Form.C21H27F3N4O4S
Mol. Mass.488.524
SMILESCC(C)[C@@H]1CN(CCN1c1ncc(CO)c(n1)C(F)(F)F)c1ccc(CO)c(c1)S(C)(=O)=O |r|
Structure
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