Reaction Details Report a problem with these data
Target
Nuclear receptor subfamily 1 group I member 2
Ligand
BDBM50347619
Substrate
n/a
Meas. Tech.
ChEMBL_756760 (CHEMBL1805306)
EC50
5200±n/a nM
Citation
 Sepe, V; Ummarino, R; D'Auria, MV; Mencarelli, A; D'Amore, C; Renga, B; Zampella, A; Fiorucci, S Total synthesis and pharmacological characterization of solomonsterol A, a potent marine pregnane-X-receptor agonist endowed with anti-inflammatory activity. J Med Chem 54:4590-9 (2011) [PubMed]  Article 
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:
BDBM50347619
Synonyms:
CHEMBL1649712 | Solomonsterol A
Type:
Small organic molecule
Emp. Form.:
C24H39O12S3
Mol. Mass.:
615.756
SMILES:
C[C@H](CCCOS([O-])(=O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OS([O-])(=O)=O)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)OS([O-])(=O)=O |r|
Structure:
Search PDB for entries with ligand similarity: