NPS(1-4)NH2   Click here for help

GtoPdb Ligand ID: 11226

Synonyms: peptide 3 [PMID: 28267583] | PEPTIDE1{S.F.R.N.[am]}$$$$
Compound class: Peptide or derivative
Comment: This is a tetrapeptide truncation of human neuropeptide S (NPS) [1]. It exhibits agonist bias for calcium mobilisation compared to cAMP accumulation in vitro.
HELM annotation is PEPTIDE1{S.F.R.N.[am]}$$$$.
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Ligand Activity Visualisation Charts

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2D Structure
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2D Structure

An image of the ligand's 2D structure. For small molecules with SMILES these are drawn using the NCI/CADD Chemical Identifier Resolver. Click on the image to access the chemical structure search tool with the ligand pre-loaded in the structure editor. For other types of ligands, e.g. longer nucleotides and peptides, a manually drawn representation of the molecule may be provided.

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SMILES / InChI / InChIKey
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SMILES / InChI / InChIKey

SMILES (Simplified Molecular Input Line Entry Specification) A specification for unambiguously describing the structure of chemical molecules using short ASCII strings. Canonical SMILES specify a unique representation of the 2D structure without chiral or isotopic specifications. Isomeric SMILES include chiral specification and isotopes.

Standard InChI (IUPAC International Chemical Identifier) and InChIKey InChI is a non-proprietary, standard, textual identifier for chemical substances designed to facilitate linking of information and database searching. An InChIKey is a simplified version of a full InChI, designed for easier web searching.

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Canonical SMILES OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(=O)N)CCCNC(=N)N)Cc1ccccc1)N
Isomeric SMILES OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(=O)N)CCCNC(=N)N)Cc1ccccc1)N
InChI InChI=1S/C22H35N9O6/c23-13(11-32)19(35)31-16(9-12-5-2-1-3-6-12)21(37)29-14(7-4-8-28-22(26)27)20(36)30-15(18(25)34)10-17(24)33/h1-3,5-6,13-16,32H,4,7-11,23H2,(H2,24,33)(H2,25,34)(H,29,37)(H,30,36)(H,31,35)(H4,26,27,28)/t13-,14-,15-,16-/m0/s1
InChI Key VWBPRJXOZDIUPZ-VGWMRTNUSA-N
Bioactivity Comments
In a cell line expressing wild type human NPS receptor, NPS(1-4)NH2 fails to elicit cAMP accumulation (EC50 >10 μM) [1].
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
NPS receptor Mm Agonist Full agonist 7.0 pEC50 - 1
⤷ pEC50 7.0 (EC50 1x10-7 M) [1]
Description: Measuring calcium mobilisation in cells expressing WT mNPS receptor (mNPSR-107I).
NPS receptor Hs Agonist Full agonist 6.0 pEC50 - 1
⤷ pEC50 6.0 (EC50 9.98x10-7 M) [1]
Description: Measuring calcium mobilisation in cells expressing WT hNPS receptor (hNPSR-107N).