Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetNuclear receptor subfamily 1 group I member 2
LigandBDBM50333708
Substrate/Competitorn/a
Meas. Tech.ChEMBL_700443 (CHEMBL1647982)
EC50>30000±n/a nM
Citation Tyagarajan, SChakravarty, PKPark, MZhou, BHerrington, JBRatliff, KBugianesi, RMWilliams, BHaedo, RJSwensen, AMWarren, VASmith, MGarcia, MKaczorowski, GJMcManus, OBLyons, KALi, XMadeira, MKaranam, BGreen, MForrest, MJAbbadie, CMcGowan, EMistry, SJochnowitz, NDuffy, JL A potent and selective indole N-type calcium channel (Ca(v)2.2) blocker for the treatment of pain. Bioorg Med Chem Lett21:869-73 (2011) [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:
BDBM50333708
n/a
NameBDBM50333708
Synonyms:CHEMBL1643735 | N-tert-butyl-2-(1-(2-(tert-butylamino)-2-oxoethyl)-2-(4-(trifluoromethoxy)phenyl)-1H-indol-5-yl)-2-methylpropanamide
TypeSmall organic molecule
Emp. Form.C29H36F3N3O3
Mol. Mass.531.6096
SMILESCC(C)(C)NC(=O)Cn1c(cc2cc(ccc12)C(C)(C)C(=O)NC(C)(C)C)-c1ccc(OC(F)(F)F)cc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: