Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(S)-N-[(R)-5-Amino-1-(4-pyridin-4-yl-piperazine-1-carbonyl)-pentyl]-3-(3,5-dibromo-4-hydroxy-phenyl)-2-{3-[2-(3-methoxy-phenyl)-ethyl]-ureido}-propionamide
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 PubChem ID
CID: 44403855
Canonical SMILES
COc1cccc(CCNC(=O)N[C@@H](Cc2cc(Br)c(O)c(Br)c2)C(=O)N[C@H](CCCCN)C(=O)N2CCN(CC2)c2ccncc2)c1
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Compound Formula C34H43Br2N7O5
Compound Structure
Protein Name
 Protein Info 
Calcitonin gene-related peptide type 1 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 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
CL000074 SK-N-MC
 Cell Line Info 
Homo sapiens (Human)  2
1
IC50 = 200 nM
   TI
   LI
   LO
   TS
2
Kd = 125.89 nM
   TI
   LI
   LO
   TS