BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetSubstance-P receptor
LigandBDBM50290731
Substrate/Competitorn/a
Meas. Tech.ChEBML_205406
IC50 5±n/a nM
Citation Vaz, RJMaynard, GDKudlacz, EMBratton, LDKane, JMShatzer, SAKnippenberg, RW Use of CoMFA in validating the conformation used in designing 4-(1H-benzimidazole-2-carbonyl)piperidines with H1/NK1 receptor antagonist activity Bioorg Med Chem Lett7:2825-2830 (1997)    Article
More Info.:Get all data from this article,  Assay Method
 
Substance-P receptor
Name:Substance-P receptor
Synonyms:NK1R_CAVPO | Neurokinin 1 receptor | Neurokinin NK1 | TAC1R | TACR1
Type:Enzyme Catalytic Domain
Mol. Mass.:46261.42
Organism:GUINEA PIG
Description:Neurokinin NK1 TACR1 GUINEA PIG::P30547
Residue:407
Sequence:
MDNVLPVDSDLFPNISTNTSEPNQFVQPAWQIVLWAAAYTVIVVTSVVGNVVVMWIILAH
KRMRTVTNYFLVNLAFAEASMAAFNTVVNFTYAVHNEWYYGLFYCKFHNFFPIAAVFASI
YSMTAVAFDRYMAIIHPLQPRLSATATKVVICVIWVLALLLAFPQGYYSTTETMPGRVVC
MIEWPSHPDKIYEKVYHICVTVLIYFLPLLVIGYAYTVVGITLWASEIPGDSSDRYHEQV
SAKRKVVKMMIVVVCTFAICWLPFHIFFLLPYINPDLYLKKFIQQVYLAIMWLAMSSTMY
NPIIYCCLNDRFRLGFKHAFRCCPFISAADYEGLEMKSTRYFQTQGSVYKVSRLETTIST
VVGAHEEDPEEGPKATPSSLDLTSNGSSRSNSKTVTESSSFYSNMLS
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50290731
n/a
NameBDBM50290731
Synonyms:CHEMBL96466 | [3-Benzo[1,3]dioxol-5-yl-3-(2-{4-[1-(4-fluoro-benzyl)-1H-benzoimidazole-2-carbonyl]-piperidin-1-yl}-ethyl)-pyrrolidin-1-yl]-(2,4-dichloro-phenyl)-methanone
TypeSmall organic molecule
Emp. Form.C40H37Cl2FN4O4
Mol. Mass.727.651
SMILESFc1ccc(Cn2c(nc3ccccc23)C(=O)C2CCN(CCC3(CCN(C3)C(=O)c3ccc(Cl)cc3Cl)c3ccc4OCOc4c3)CC2)cc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: