Reaction Details Report a problem with these data
Target
Substance-P receptor
Ligand
BDBM21011
Substrate
Substance P
Meas. Tech.
Radioligand Labeled Binding Assay
pH
7.4±n/a
Temperature
298.15±n/a K
Ki
1.6±n/a nM
Citation
 Yamamoto, T; Nair, P; Vagner, J; Largent-Milnes, T; Davis, P; Ma, SW; Navratilova, E; Moye, S; Tumati, S; Lai, J; Yamamura, HI; Vanderah, TW; Porreca, F; Hruby, VJ A Structure-Activity Relationship Study and Combinatorial Synthetic Approach of C-Terminal Modified Bifunctional Peptides That Are delta/mu Opioid Receptor Agonists and Neurokinin 1 Receptor Antagonists. J Med Chem 51:1369-76 (2008) [PubMed]  Article 
Target
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:
MDNVLPVDSDLSPNISTNTSEPNQFVQPAWQIVLWAAAYTVIVVTSVVGNVVVMWIILAHKRMRTVTNYFLVNLAFAEASMAAFNTVVNFTYAVHNEWYYGLFYCKFHNFFPIAAVFASIYSMTAVAFDRYMAIIHPLQPRLSATATKVVICVIWVLALLLAFPQGYYSTTETMPSRVVCMIEWPEHPNKIYEKVYHICVTVLIYFLPLLVIGYAYTVVGITLWASEIPGDSSDRYHEQVSAKRKVVKMMIVVVCTFAICWLPFHIFFLLPYINPDLYLKKFIQQVYLAIMWLAMSSTMYNPIIYCCLNDRFRLGFKHAFRCCPFISAGDYEGLEMKSTRYLQTQGSVYKVSRLETTISTVVGAHEEEPEDGPKATPSSLDLTSNCSSRSDSKTMTESFSFSSNVLS
  
Inhibitor
Name:
BDBM21011
Synonyms:
(2S)-2-{[(2S)-1-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]propanamido]acetamido}-3-phenylpropanoyl]pyrrolidin-2-yl]formamido}-N-[(1S)-1-[benzyl(methyl)carbamoyl]-2-(1H-indol-3-yl)ethyl]-4-methylpentanamide | C-terminal modified bifunctional peptide, 4 | H-Tyr-D-Ala-Gly-Phe-Pro-Leu-Trp-NMe-Bzl
Type:
Peptide-like ligand
Emp. Form.:
C53H65N9O8
Mol. Mass.:
956.1387
SMILES:
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)Cc1ccccc1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Substance P
Synonyms:
[3H]Substance P
Type:
Peptide
Mol. Mass.:
3794.16
Organism:
n/a
Description:
n/a
Residue:
33
Sequence:
HARGPRLYSPRGLNGLNPHEPHEGLYLEMETNH