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TargetNuclear receptor subfamily 1 group I member 2
LigandBDBM50234162
Substrate/Competitorn/a
Meas. Tech.ChEMBL_664414 (CHEMBL1259680)
IC50 4800±n/a nM
Citation Morriello, GJChicchi, GJohnson, TMills, SGDemartino, JKurtz, MTsao, KLZheng, STong, XCarlson, ETownson, KWheeldon, ABoyce, SCollinson, NRupniak, NDevita, RJ Fused tricyclic pyrrolizinones that exhibit pseudo-irreversible blockade of the NK1 receptor. Bioorg Med Chem Lett20:5925-32 (2010) [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
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  Blast E-value cutoff:
BDBM50234162
n/a
NameBDBM50234162
Synonyms:(6R,7S,7aS)-6-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-7-(4-fluorophenyl)tetrahydro-1H-pyrrolizin-3(2H)-one | (6R,7S,7aS)-6-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}-7-(4-fluorophenyl)hexahydro-3H-pyrrolizin-3-one | CHEMBL272649
TypeSmall organic molecule
Emp. Form.C23H20F7NO2
Mol. Mass.475.3992
SMILESC[C@@H](O[C@H]1CN2[C@@H](CCC2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Structure
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