Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetNuclear receptor subfamily 1 group I member 2
LigandBDBM50377913
Substrate/Competitorn/a
Meas. Tech.ChEMBL_486934 (CHEMBL1012196)
Ki 27±n/a nM
Citation Verotta, LAppendino, GBelloro, EBianchi, FSterner, OLovati, MBombardelli, E Synthesis and biological evaluation of hyperforin analogues. Part I. Modification of the enolized cyclohexanedione moiety. J Nat Prod65:433-8 (2002) [PubMed]
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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50377913
n/a
NameBDBM50377913
Synonyms:HYPERFORIN
TypeSmall organic molecule
Emp. Form.C35H52O4
Mol. Mass.536.785
SMILES[#6]-[#6](-[#6])-[#6](=O)[C@@]12[#6](=O)-[#6](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](=O)[C@@]([#6]\[#6]=[#6](\[#6])-[#6])([#6]-[#6@H](-[#6]\[#6]=[#6](\[#6])-[#6])[C@@]1([#6])[#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#6]2=O |r,TLB:38:37:14.6.8:22.29.23|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: