Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-1,3-dihydroxypropylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1-hydroxyethylidene]amino]-1,3-dihydroxybutylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-4-methylsulfanylbutylidene]amino]-1-hydroxyhexylidene]amino]-1-hydroxyhexylidene]amino]-1,3-dihydroxybutylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-1,5-dihydroxy-5-iminopentylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1-hydroxypropylidene]amino]-1-hydroxyhexylidene]amino]-3-hydroxypropanoic acid
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 PubChem ID
CID: 44123843
SID: 84975540
Canonical SMILES
CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O
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Compound Formula C93H155N31O28S
Compound Structure
Protein Name
 Protein Info 
Neuropeptide S receptor
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
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Peptide receptor (family A GPCR)
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Short peptide receptor (family A GPCR)
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Neuropeptide receptor
Uniprot ID
Q8BZP8
Gene Name
NPSR1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  4
1
EC50 = 1.096 nM
   TI
   LI
   LO
   TS
2
EC50 = 2.239 nM
   TI
   LI
   LO
   TS
3
EC50 = 9.12 nM
   TI
   LI
   LO
   TS
4
EC50 = 12.02 nM
   TI
   LI
   LO
   TS