Brief Information of the Compound and Protein
Compound Name
(S)-1-((S)-2-((S)-2-(1-((3S,6S,9S,12S)-3-((1H-imidazol-4-yl)methyl)-6-((1H-indol-3-yl)methyl)-12-(4-hydroxybenzyl)-9-(hydroxymethyl)-1,4,7,10-tetraoxo-1-((S)-5-oxopyrrolidin-2-yl)-2,5,8,11-tetraazatridecanamido)cyclopentanecarboxamido)-4-methylpentanamido)-5-guanidinopentanoyl)-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide
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PubChem ID
CID: 127036617
Canonical SMILES
CC(C)C[C@H](NC(=O)C1(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H]2CCC(=O)N2)CCCC1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O
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Compound Formula C59H81N17O13
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
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 588.84 nM
   TI
   LI
   LO
   TS