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TargetPregnane X receptor (PXR)
LigandBDBM50147212
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1554419
EC50 3300±n/a nM
Citation Nair, AGZeng, QSelyutin, ORosenblum, SBJiang, YYang, DYKeertikar, KZhou, GDwyer, MPKim, SHShankar, BYu, WTong, LChen, LMazzola, RCaldwell, JTang, HAllard, MLBuckle, RNGauuan, PJHolst, CLMartin, GSNaicker, KPVellekoop, SAgrawal, SLiu, RKong, RIngravallo, PXia, EZhai, YNomeir, AKozlowski, JA Discovery of silyl proline containing HCV NS5A inhibitors with pan-genotype activity: SAR development. Bioorg Med Chem Lett26:1475-9 (2016) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Pregnane X receptor (PXR)
Name:Pregnane X receptor
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:
BDBM50147212
NameBDBM50147212
Synonyms:CHEMBL3765311
TypeSmall organic molecule
Emp. Form.C42H50N8O7
Mol. Mass.778.8958
SMILESCOC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc(cc1)-c1cc2cc(ccc2o1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r|
Structure
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