Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(9R,12S,15S,18S,24S,27S,30S,33S,36S,39S,42R,48S,51S,56S)-56-acetamido-36-(4-aminobutyl)-33-(2-amino-2-oxoethyl)-48-benzyl-15-[(2S)-butan-2-yl]-27-(hydroxymethyl)-12,24,30-tris(1H-indol-3-ylmethyl)-39-(2-methylsulfanylethyl)-4,11,14,17,23,26,29,32,35,38,41,44,47,50,55,61,64-heptadecaoxo-7,58,67-trithia-1,3,10,13,16,22,25,28,31,34,37,40,43,46,49,54,62-heptadecazapentacyclo[40.21.5.13,62.018,22.051,54]nonahexacontane-9-carboxylic acid
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 PubChem ID
CID: 168299226
Canonical SMILES
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=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)N3CC[C@H]3C(=O)N[C@@H](Cc3ccccc3)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 C100H131N23O22S4
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 = 66.9 nM
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