Brief Information of the Compound and Protein
Compound Name
N-[(2S,5S,8R,12R)-5,8-dibenzyl-2-(1H-indol-3-ylmethyl)-3,6,11,14-tetraoxo-1,4,7,10-tetrazacyclotetradec-12-yl]-2-(4-morpholin-4-ylpiperidin-1-yl)acetamide
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PubChem ID
CID: 9853827
SID: 16360457
Canonical SMILES
O=C(CN1CCC(CC1)N1CCOCC1)N[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O
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Compound Formula C44H54N8O6
Compound Structure
Protein Name
Neuromedin-K receptor
Protein Classification
Membrane receptor
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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
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
Ki = 1258.93 nM
   TI
   LI
   LO
   TS