Brief Information of the Compound and Protein
Compound Name
(3S,6S,9S,12S,15S,18S,21S,27S,30S,33S,36S,39S,48S)-39-((4S,7S,10S,13S,16S,19S,22S)-19-((1H-imidazol-5-yl)methyl)-4-((S)-2-((6S,9S,12S,15S,21S,27S)-1-amino-28-((S)-2-carbamoylpyrrolidin-1-yl)-12-(2-carboxyethyl)-9,15-bis((R)-1-hydroxyethyl)-21,27-bis(hydroxymethyl)-1-imino-7,10,13,16,19,22,25,28-octaoxo-2,8,11,14,17,20,23,26-octaazaoctacosan-6-ylcarbamoyl)pyrrolidine-1-carbonyl)-16-(2-carboxyethyl)-7-((R)-1-hydroxyethyl)-13-isobutyl-2,10,24-trimethyl-6,9,12,15,18,21-hexaoxo-5,8,11,14,17,20-hexaazapentacosan-22-ylcarbamoyl)-3-((S)-2-((S)-2-aminopropanamido)-3-hydroxypropanamido)-27-(3-guanidinopropyl)-12-((R)-1-hydroxyethyl)-9,33-bis(hydroxymethyl)-6,21,30-triisobutyl-15,18,36-trimethyl-4,7,10,13,16,19,22,25,28,31,34,37,45,50-tetradecaoxo-5,8,11,14,17,20,23,26,29,32,35,38,44,49-tetradecaazaoctahexacontane-1,48,68-tricarboxylic acid
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PubChem ID
CID: 155513610
Canonical SMILES
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(N)=O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O
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Compound Formula C162H277N43O53
Compound Structure
Protein Name
Calcitonin 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 receptor
Uniprot ID
P30988
Gene Name
CALCR
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000404 BHK570 Mesocricetus auratus (Golden hamster)  2
1
EC50 = 0.031 nM
   TI
   LI
   LO
   TS
2
EC50 = 0.048 nM
   TI
   LI
   LO
   TS
CL000858 TK-TS 13 Mesocricetus auratus (Golden hamster)  2
1
IC50 = 0.065 nM
   TI
   LI
   LO
   TS
2
IC50 = 0.215 nM
   TI
   LI
   LO
   TS