Brief Information of the Compound and Protein
Compound Name
(5S,8S,14S,17S,20S)-14,17-dibenzyl-5-carbamoyl-20-(3-hydroxyureido)-8-isobutyl-15-methyl-7,10,13,16,19-pentaoxo-2-thia-6,9,12,15,18-pentaazadocosan-22-oic acid
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PubChem ID
CID: 127035106
Canonical SMILES
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)NO)C(N)=O
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Compound Formula C37H52N8O10S
Compound Structure
Protein Name
Neuromedin-K receptor
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
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Peptide receptor (family A GPCR)
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Short peptide receptor (family A GPCR)
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Neurokinin receptor
Uniprot ID
P29371
Gene Name
TACR3
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
EC50 = 0.043 nM
   TI
   LI
   LO
   TS
2
IC50 = 10 nM
   TI
   LI
   LO
   TS