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TargetPregnane X receptor (PXR)
LigandBDBM50009073
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1664822
EC50 30600±n/a nM
Citation Proschak EHeitel PKalinowsky LMerk D Opportunities and Challenges for Fatty Acid Mimetics in Drug Discovery. J Med Chem 60:5235-5266 (2017) [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
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  Blast E-value cutoff:
BDBM50009073
n/a
NameBDBM50009073
Synonyms:4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol-3-ylmethyl)-3-methoxy-N-o-tolylsulfonylbenzamide | CHEMBL603 | ZAFIRLUKAST | cyclopentyl 3-(2-methoxy-4-((o-tolylsulfonyl)carbamoyl)benzyl)-1-methylindole-5-carbamate | cyclopentyl 3-[2-methoxy-4-(2-methylphenylsulfonylcarbamoyl)benzyl]-1-methyl-1H-indol-5-ylcarbamate
TypeSmall organic molecule
Emp. Form.C31H33N3O6S
Mol. Mass.575.675
SMILESCOc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
Structure
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