Brief Information of the Compound and Protein
Compound Name
 Compound Info 
N-[(2R)-1-[[(2S)-6-amino-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)hexan-2-yl]amino]-3-(3,5-dibromo-4-hydroxyphenyl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
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 PubChem ID
CID: 6918509
SID: 12015401
Canonical SMILES
NCCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O)C(=O)N1CCN(CC1)c1ccncc1
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Compound Formula C38H47Br2N9O5
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)  3
1
IC50 = 0.02 nM
   TI
   LI
   LO
   TS
2
IC50 = 4 nM
   TI
   LI
   LO
   TS
3
Ki = 0.01 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.03 nM
2 Kd = 0.03981 nM
3 Kd = 0.07943 nM
4 Ki = 0.01 nM
5 Ki = 0.014 nM