Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetNuclear receptor subfamily 1 group I member 2
LigandBDBM50317585
Substrate/Competitorn/a
Meas. Tech.ChEMBL_632337 (CHEMBL1112965)
EC50>30000±n/a nM
Citation Tynebor, RMChen, MHNatarajan, SRO'Neill, EAThompson, JEFitzgerald, CEO'Keefe, SJDoherty, JB Synthesis and biological activity of 2H-quinolizin-2-one based p38alpha MAP kinase inhibitors. Bioorg Med Chem Lett20:2765-9 (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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50317585
n/a
NameBDBM50317585
Synonyms:1-(4-(5-amino-1,3,4-oxadiazol-2-yl)-2,6-difluorophenyl)-6-(2,4-difluorophenyl)-2H-quinolizin-2-one | CHEMBL1098551
TypeSmall organic molecule
Emp. Form.C23H12F4N4O2
Mol. Mass.452.3606
SMILESNc1nnc(o1)-c1cc(F)c(c(F)c1)-c1c2cccc(-c3ccc(F)cc3F)n2ccc1=O |(24.64,-30.2,;25.55,-31.45,;27.09,-31.45,;27.57,-32.91,;26.32,-33.82,;25.07,-32.92,;26.32,-35.37,;27.65,-36.14,;27.65,-37.68,;28.99,-38.45,;26.32,-38.45,;24.99,-37.68,;23.65,-38.45,;24.98,-36.14,;26.32,-39.98,;27.64,-40.76,;28.97,-40,;30.3,-40.76,;30.3,-42.3,;28.97,-43.07,;28.97,-44.6,;27.63,-45.37,;27.63,-46.91,;28.96,-47.68,;28.96,-49.22,;30.3,-46.91,;30.3,-45.37,;31.63,-44.6,;27.64,-42.3,;26.32,-43.06,;24.99,-42.3,;24.99,-40.76,;23.65,-40,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: