Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]butanediamido]-3-(1H-indol-3-yl)propanamido]-N-[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}butyl]carbamoyl}-3-methylbutyl]carbamoyl}methyl)carbamoyl]-2-phenylethyl]carbamoyl}-2-hydroxyethyl]butanediamide
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 PubChem ID
CID: 25240297
SID: 163469274
Canonical SMILES
CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
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Compound Formula C63H83N17O14
Compound Structure
Protein Name
 Protein Info 
KiSS-1 receptor
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
Peptide receptor (family A GPCR)
>
Short peptide receptor (family A GPCR)
>
RF amide receptor
Uniprot ID
Q924U1
Gene Name
KISS1R
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  2
1
EC50 = 4.2 nM
   TI
   LI
   LO
   TS
2
Ki = 0.088 nM
   TI
   LI
   LO
   TS
CL000389 CHO-DXB11
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
EC50 = 4.2 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.11 nM
2 Ki = 0.057 nM