Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetSubstance-P receptor
LigandBDBM50020093
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1364155 (CHEMBL3292632)
Ki 631±n/a nM
Citation Hanessian, SJennequin, TBoyer, NBabonneau, VSoma, UMannoury la Cour, CMillan, MJDe Nanteuil, G Design, Synthesis, and Optimization of Balanced Dual NK1/NK3 Receptor Antagonists. ACS Med Chem Lett5:550-5 (2014) [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:
BDBM50020093
n/a
NameBDBM50020093
Synonyms:CHEMBL3288160
TypeSmall organic molecule
Emp. Form.C35H41Cl3FN5O4
Mol. Mass.721.089
SMILESCl.CN1C(=O)OC2(CCN(CC[C@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc12 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: