Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetNuclear receptor subfamily 1 group I member 2
LigandBDBM50436258
Substrate/Competitorn/a
Meas. Tech.ChEMBL_966406 (CHEMBL2398843)
EC50 1400±n/a nM
Citation Gardner, DSSantella, JBDuncia, JVCarter, PHDhar, TGWu, HGuo, WCavallaro, CVan Kirk, KYarde, MBriceno, SWGrafstrom, RRLiu, RPatel, SRTebben, AJCamac, DKhan, JWatson, AYang, GRose, AFoster, WRCvijic, MEDavies, PHynes, J The discovery of BMS-457, a potent and selective CCR1 antagonist. Bioorg Med Chem Lett23:3833-40 (2013) [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:
BDBM50436258
n/a
NameBDBM50436258
Synonyms:CHEMBL2398722
TypeSmall organic molecule
Emp. Form.C24H35ClN2O4
Mol. Mass.450.999
SMILESCC(C)[C@@H](NC(=O)[C@@H]1CCC[C@@H]1O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: