Brief Information of the Compound and Protein
Compound Name
(S)-1-((S)-2-((S)-2-(2-((S)-2-((S)-2-((S)-2-((S)-3-(1H-imidazol-5-yl)-2-((S)-2-oxopyrrolidine-5-carboxamido)propanamido)-3-(1H-indol-2-yl)propanamido)-3-hydroxypropanamido)-3-(4-hydroxyphenyl)propanamido)acetamido)-4-methylpentanamido)-5-(diaminomethylene
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PubChem ID
CID: 44413029
Canonical SMILES
CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cc2ccccc2[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(N)=O
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Compound Formula C53H72N16O12
Compound Structure
Protein Name
Gonadotropin-releasing hormone 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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GnRH receptor
Uniprot ID
P30968
Gene Name
GNRHR
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 10 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 6 nM