Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(S)-1-((3S,6S,9S,12S,18S,24S)-1-((S)-1-((5S,8S,14S,17S,20S,23S,26S,29S,32S,35S,38S,41S,44S,47S)-41-((1H-imidazol-5-yl)methyl)-5-((4R,7S,10S,13S,16S,22R)-22-amino-16-(2-amino-2-oxoethyl)-7-((R)-1-hydroxyethyl)-10-(hydroxymethyl)-13-isobutyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexaazacyclotricosane-4-carboxamido)-32-(2-amino-2-oxoethyl)-23-(3-amino-3-oxopropyl)-35-(4-aminobutyl)-29,38,47-tribenzyl-26-(carboxymethyl)-17-(4-hydroxybenzyl)-14,20-bis((R)-1-hydroxyethyl)-44-((S)-1-hydroxyethyl)-8-isobutyl-6,9,12,15,18,21,24,27,30,33,36,39,42,45-tetradecaoxo-2-thia-7,10,13,16,19,22,25,28,31,34,37,40,43,46-tetradecaazaoctatetracontane)pyrrolidin-2-yl)-3-(3-amino-3-oxopropyl)-12-sec-butyl-6-((R)-1-hydroxyethyl)-18-isopropyl-9,24-dimethyl-1,4,7,10,13,16,19,22-octaoxo-2,5,8,11,14,17,20,23-octaazapentacosane)pyrrolidine-2-carboxylic acid
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 PubChem ID
CID: 134130160
Canonical SMILES
CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CSSC[C@H](N)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)[C@@H](C)O)[C@H](C)O)[C@@H](C)O)C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O)C(C)C
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Compound Formula C151H225N39O46S3
Compound Structure
Protein Name
 Protein Info 
Calcitonin gene-related peptide type 1 receptor
Protein Classification
Membrane receptor
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Family B G protein-coupled receptor
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Peptide receptor (family B GPCR)
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Calcitonin-like receptor
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Calcitonin gene-related peptide receptor
Uniprot ID
Q16602
Gene Name
CALCRL
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)  1
1
IC50 = 0.032 nM
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