Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetSubstance-P receptor
LigandBDBM50116078
Substrate/Competitorn/a
Meas. Tech.ChEBML_208822
Ki 1.3±n/a nM
Citation Ting, PCLee, JFShih, NYPiwinski, JJAnthes, JCChapman, RWRizzo, CAHey, JANg, KNomeir, AA Identification of a novel 1'-[5-((3,5-dichlorobenzoyl)methylamino)-3-(3,4-dichlorophenyl)-4-(methoxyimino)pentyl]-2-oxo-(1,4'-bipiperidine) as a dual NK(1)/NK(2) antagonist. Bioorg Med Chem Lett12:2125-8 (2002) [PubMed]
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:
BDBM50116078
n/a
NameBDBM50116078
Synonyms:3,5-Dichloro-N-[3-(3,4-dichloro-phenyl)-2-methoxyimino-5-(3-methylcarbamoylmethyl-2-oxo-[1,4']bipiperidinyl-1'-yl)-pentyl]-N-ethyl-benzamide | CHEMBL66332 | SCH 206272
TypeSmall organic molecule
Emp. Form.C33H41Cl4N5O4
Mol. Mass.713.522
SMILESCNC(=O)CC1CCCN(C2CCN(CC[C@@H](\C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N\OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: