Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(9R,12S,15S,18S,25S,28S,31S,34S,37S,40S,43R,49S,52S,58S)-58-acetamido-37-(4-aminobutyl)-34-(2-amino-2-oxoethyl)-15-[(2S)-butan-2-yl]-24-hydroxy-28-(hydroxymethyl)-12,25,31-tris(1H-indol-3-ylmethyl)-40-(2-methylsulfanylethyl)-4,11,14,17,27,30,33,36,39,42,45,48,51,57,63,66-hexadecaoxo-49-(pyridin-2-ylmethyl)-7,60,69-trithia-1,3,10,13,16,23,26,29,32,35,38,41,44,47,50,56,64-heptadecazapentacyclo[41.22.5.13,64.018,23.052,56]henheptacontane-9-carboxylic acid
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 PubChem ID
CID: 168299670
Canonical SMILES
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCCN2C(O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](NC(C)=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3ccccn3)C(=O)NCC(=O)N2)C(=O)CCSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(O)=O
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Compound Formula C101H136N24O22S4
Compound Structure
Protein Name
 Protein Info 
Nectin-4
Protein Classification
Adhesion
Uniprot ID
Q96NY8
Gene Name
NECTIN4
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 694 nM
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