Brief Information of the Compound and Protein
Compound Name
(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(1R,4S,7S,10R,13R,16R,19S,24R,27S,30S,33S,36S,39R,46S,49S,52S,55S)-30-(4-aminobutyl)-19-[[(2R)-2-[[(2R)-2-[[2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-2-aminohexanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]acetyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-16,27,33,36,52-pentakis(3-carbamimidamidopropyl)-4-(2-carboxyethyl)-10,13-bis(carboxymethyl)-46,49-bis[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-55-(2-methylpropyl)-3,6,9,12,15,18,25,28,31,34,37,44,47,50,53,56-hexadecaoxo-21,22,41,42-tetrathia-2,5,8,11,14,17,26,29,32,35,38,45,48,51,54,57-hexadecazabicyclo[22.19.14]heptapentacontane-39-carbonyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]pentanedioic acid
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PubChem ID
CID: 155540883
Canonical SMILES
CCCC[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)N[C@@H]1CSSC[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CCCNC(N)=N)NC1=O)[C@@H](C)O)[C@@H](C)O
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Compound Formula C190H314N64O58S4
Compound Structure
Protein Name
Growth hormone secretagogue receptor type 1
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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GRP-related receptor
Uniprot ID
Q92847
Gene Name
GHSR
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  6
1
EC50 = 16.6 nM
   TI
   LI
   LO
   TS
2
EC50 = 22.8 nM
   TI
   LI
   LO
   TS
3
EC50 = 27.7 nM
   TI
   LI
   LO
   TS
4
Kd = 1.479 nM
   TI
   LI
   LO
   TS
5
Kd = 10.23 nM
   TI
   LI
   LO
   TS
6
Ki = 1.26 nM
   TI
   LI
   LO
   TS