Reaction Details Report a problem with these data
Target
Nuclear receptor subfamily 1 group I member 2
Ligand
BDBM50609792
Substrate
n/a
Meas. Tech.
ChEMBL_2279561
IC50
16±n/a nM
Citation
 Li, Y; Lin, W; Chai, SC; Wu, J; Annu, K; Chen, T Design and Optimization of 1 J Med Chem 65:16829-16859 (2022) [PubMed] 
Target
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:
MEVRPKESWNHADFVHCEDTESVPGKPSVNADEEVGGPQICRVCGDKATGYHFNVMTCEGCKGFFRRAMKRNARLRCPFRKGACEITRKTRRQCQACRLRKCLESGMKKEMIMSDEAVEERRALIKRKKSERTGTQPLGVQGLTEEQRMMIRELMDAQMKTFDTTFSHFKNFRLPGVLSSGCELPESLQAPSREEAAKWSQVRKDLCSLKVSLQLRGEDGSVWNYKPPADSGGKEIFSLLPHMADMSTYMFKGIISFAKVISYFRDLPIEDQISLLKGAAFELCQLRFNTVFNAETGTWECGRLSYCLEDTAGGFQQLLLEPMLKFHYMLKKLQLHEEEYVLMQAISLFSPDRPGVLQHRVVDQLQEQFAITLKSYIECNRPQPAHRFLFLKIMAMLTELRSINAQHTQRLLRIQDIHPFATPLMQELFGITGS
  
Inhibitor
Name:
BDBM50609792
Synonyms:
CHEMBL5269977
Type:
Small organic molecule
Emp. Form.:
C25H31ClN4O3
Mol. Mass.:
470.992
SMILES:
CCCCOc1ccc(cc1NC(=O)c1nnn(c1C)-c1cc(Cl)ccc1OC)C(C)(C)C
Structure:
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