Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetNeurokinin 1 receptor
LigandBDBM21021
Substrate/Competitorn/a
Meas. Tech.ChEMBL_977574
Ki 0.290000±n/a nM
Citation Nair PYamamoto TLargent-Milnes TMCowell SKulkarni VMoye SNavratilova EDavis PMa SWVanderah TWLai JPorreca FHruby VJ Truncation of the peptide sequence in bifunctional ligands with mu and delta opioid receptor agonist and neurokinin 1 receptor antagonist activities. Bioorg Med Chem Lett 23:4975-8 (2013) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Neurokinin 1 receptor
Name:Neurokinin 1 receptor
Synonyms:NK-1 receptor | NK-1R | NK1 Receptor | Neurokinin NK1 | SPR | Substance-P receptor | TACR1 | Tachykinin receptor 1
Type:G Protein-Coupled Receptor (GPCR)
Mol. Mass.:46371.54
Organism:Rattus norvegicus (rat)
Description:Competition binding assays were carried out using membrane preparations from transfected CHO cells that constitutively expressed the rat NK1 receptor.
Residue:407
Sequence:
MDNVLPMDSDLFPNISTNTSESNQFVQPTWQIVLWAAAYTVIVVTSVVGNVVVIWIILAH
KRMRTVTNYFLVNLAFAEACMAAFNTVVNFTYAVHNVWYYGLFYCKFHNFFPIAALFASI
YSMTAVAFDRYMAIIHPLQPRLSATATKVVIFVIWVLALLLAFPQGYYSTTETMPSRVVC
MIEWPEHPNRTYEKAYHICVTVLIYFLPLLVIGYAYTVVGITLWASEIPGDSSDRYHEQV
SAKRKVVKMMIVVVCTFAICWLPFHVFFLLPYINPDLYLKKFIQQVYLASMWLAMSSTMY
NPIIYCCLNDRFRLGFKHAFRCCPFISAGDYEGLEMKSTRYLQTQSSVYKVSRLETTIST
VVGAHEEEPEEGPKATPSSLDLTSNGSSRSNSKTMTESSSFYSNMLA
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM21021
n/a
NameBDBM21021
Synonyms:Bifunctional Peptide Ligand, 5 (TY005) | CHEMBL389652 | H-Tyr-D-Ala-Gly-Phe-Met-Pro-Leu-Trp-O-3,5-Bzl(CF3)2 | [3,5-bis(trifluoromethyl)phenyl]methyl (2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]propanamido]acetamido}-3-phenylpropanamido]-4-(methylsulfanyl)butanoyl]pyrrolidin-2-yl]formamido}-4-methylpentanamido]-3-(1H-indol-3-yl)propanoate
TypePeptide-like ligand
Emp. Form.C59H69F6N9O10S
Mol. Mass.1210.289
SMILESCSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: