Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetSubstance-P receptor
LigandBDBM50328974
Substrate/Competitorn/a
Meas. Tech.ChEMBL_674023 (CHEMBL1275200)
Ki 0.26±n/a nM
Citation Xiao, DWang, CPalani, ATsui, HCReichard, GPaliwal, SShih, NYAslanian, RDuffy, RLachowicz, JVarty, GMorgan, CLiu, FNomeir, A Discovery of a series of potent, orally activea,a-disubstituted piperidine NK(1) antagonists. Bioorg Med Chem Lett20:6313-5 (2010) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Substance-P receptor
Name:Substance-P receptor
Synonyms:NK-1 receptor | NK-1R | NK1 Receptor | NK1R | NK1R_HUMAN | Neurokinin 1 receptor | Neurokinin-1 (NK-1) | Neuromedin-1 receptor (NK-1R) | SPR | TAC1R | TACR1 | Tachykinin receptor 1 | Tachykinin receptor 1 (NK1) | tachykinin
Type:G Protein-Coupled Receptor (GPCR)
Mol. Mass.:46254.43
Organism:Homo sapiens (Human)
Description:P25103
Residue:407
Sequence:
MDNVLPVDSDLSPNISTNTSEPNQFVQPAWQIVLWAAAYTVIVVTSVVGNVVVMWIILAH
KRMRTVTNYFLVNLAFAEASMAAFNTVVNFTYAVHNEWYYGLFYCKFHNFFPIAAVFASI
YSMTAVAFDRYMAIIHPLQPRLSATATKVVICVIWVLALLLAFPQGYYSTTETMPSRVVC
MIEWPEHPNKIYEKVYHICVTVLIYFLPLLVIGYAYTVVGITLWASEIPGDSSDRYHEQV
SAKRKVVKMMIVVVCTFAICWLPFHIFFLLPYINPDLYLKKFIQQVYLAIMWLAMSSTMY
NPIIYCCLNDRFRLGFKHAFRCCPFISAGDYEGLEMKSTRYLQTQGSVYKVSRLETTIST
VVGAHEEEPEDGPKATPSSLDLTSNCSSRSDSKTMTESFSFSSNVLS
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50328974
n/a
NameBDBM50328974
Synonyms:1-((3S,6S)-6-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-6-phenylpiperidin-3-yl)pyrrolidin-2-one | CHEMBL1270271
TypeSmall organic molecule
Emp. Form.C26H28F6N2O2
Mol. Mass.514.5031
SMILESC[C@@H](OC[C@]1(CC[C@@H](CN1)N1CCCC1=O)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: