Brief Information of the Compound and Protein
Compound Name
(3S,6S,12S,15S,24S)-3-((2S,3R)-2-((S)-2-((S)-1-((2S,5S,8S,11S,14S,17S,20S,23S,26S,29S,32S,35S,41S,44S,47S,50S,53S,56S,62S,65S)-17-((1H-imidazol-5-yl)methyl)-65-amino-8,26-bis(3-amino-3-oxopropyl)-14,23-bis(2-carboxyethyl)-35-(3-guanidinopropyl)-2-(4-hydroxybenzyl)-5,50-bis((R)-1-hydroxyethyl)-29,53,62-tris(hydroxymethyl)-11,20,32,41,56-pentaisobutyl-44,47-dimethyl-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46,49,52,55,58,61,64-henicosaoxo-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63-henicosaazahexahexacontane)pyrrolidine-2-carboxamido)-5-guanidinopentanamido)-3-hydroxybutanamido)-15-((2S,3R)-1-((S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-ylamino)-3-hydroxy-1-oxobutan-2-ylcarbamoyl)-6-((R)-1-hydroxyethyl)-12-(hydroxymethyl)-4,7,10,13,21,26-hexaoxo-5,8,11,14,20,25-hexaazatetratetracontane-1,24,44-tricarboxylic acid
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PubChem ID
CID: 155531488
Canonical SMILES
CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)N)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)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](CCC(N)=O)C(=O)N[C@@H](CCC(=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](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)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)N[C@@H](CCCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O
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Compound Formula C174H285N45O57
Compound Structure
Protein Name
Calcitonin receptor
Protein Classification
Membrane receptor
>
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 = 0.036 nM
   TI
   LI
   LO
   TS
2
EC50 = 0.113 nM
   TI
   LI
   LO
   TS
CL000858 TK-TS 13 Mesocricetus auratus (Golden hamster)  1
1
IC50 = 1.267 nM
   TI
   LI
   LO
   TS