Brief Information of the Compound and Protein
Compound Name
(2S,5S,8S,11S,14S,17S,20S,23S,26S,29S,32S,35S,41S,44S,47S,50S,53S,56S,59S,62S,65S,70S)-17-((1H-imidazol-5-yl)methyl)-8,26,59-tris(3-amino-3-oxopropyl)-70-carboxy-1-((S)-2-((6S,9S,12S,15S,21S,24S,27S,30S)-1,31-diamino-12,24-bis(3-amino-3-oxopropyl)-30-(4-hydroxybenzyl)-9,15,27-tris((R)-1-hydroxyethyl)-21-(hydroxymethyl)-1-imino-7,10,13,16,19,22,25,28,31-nonaoxo-2,8,11,14,17,20,23,26,29-nonaazahentriacontan-6-ylcarbamoyl)pyrrolidin-1-yl)-14,23,35-tris(3-guanidinopropyl)-2-(4-hydroxybenzyl)-5,50-bis((R)-1-hydroxyethyl)-29,53,62-tris(hydroxymethyl)-11,20,32,41,56-pentaisobutyl-44-isopropyl-47,65-dimethyl-1,4,7,10,13,16,19,22,25,28,31,34,37,40,43,46,49,52,55,58,61,64,67,72-tetracosaoxo-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,71-tricosaazahennonacontan-91-oic acid
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PubChem ID
CID: 155536914
Canonical SMILES
CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](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(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)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(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=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
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Compound Formula C180H301N53O54
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 = 0.015 nM
   TI
   LI
   LO
   TS
2
EC50 = 0.05 nM
   TI
   LI
   LO
   TS
CL000858 TK-TS 13 Mesocricetus auratus (Golden hamster)  3
1
IC50 = 0.069 nM
   TI
   LI
   LO
   TS
2
IC50 = 0.131 nM
   TI
   LI
   LO
   TS
3
IC50 = 1.549 nM
   TI
   LI
   LO
   TS