Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetNuclear receptor subfamily 1 group I member 2
LigandBDBM50177015
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1582651 (CHEMBL3817092)
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)ß Agonist. J Med Chem59:3264-71 (2016) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Nuclear receptor subfamily 1 group I member 2
Name:Nuclear receptor subfamily 1 group I member 2
Synonyms:NR1I2 | NR1I2_HUMAN | Orphan nuclear receptor PAR1 | Orphan nuclear receptor PXR | PXR | Pregnane X receptor | SXR | Steroid and xenobiotic 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
Search PDB for entries with ligand similarity:Similarity to this molecule at least: