Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(3S)-4-[[(9R,13R,18S,21S,24S,30S,33S,36R,39S,42S,51S,54S,57S,63R)-24-(2-amino-2-oxoethyl)-60-(4-carbamimidamidobutyl)-63-carbamoyl-51-(carboxymethyl)-13-hydroxy-42-(1H-imidazol-4-ylmethyl)-54,57-bis(1H-indol-3-ylmethyl)-18,33,39-tris(2-methylpropyl)-4,10,16,19,22,25,31,34,37,40,43,49,52,55,58,61,68,73-octadecaoxo-21-propan-2-yl-7,65,74-trithia-1,3,11,17,20,23,26,32,35,38,41,44,50,53,56,59,62,69-octadecazahexacyclo[34.34.5.13,69.011,15.026,30.044,48]hexaheptacontan-9-yl]amino]-3-[[(2S)-6-carbamimidamido-2-[[(1S)-1-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[3-[[5-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[[(2S)-1-[[(2S)-1-[[(3S,4S,5S)-1-[2-[(1S,2S)-3-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoyl]amino]propanoyl-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]ethyl]amino]hexanoyl]amino]-4-oxobutanoic acid
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 PubChem ID
CID: 168298575
Canonical SMILES
CC[C@H](C)[C@@H]([C@H](CC(=O)N1CCCC1[C@@H](OC)[C@H](C)C(=O)N[C@@H](C)[C@H](O)c1ccccc1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCC(=O)NCCC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N[C@@H](C)N[C@@H](CCCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H]2CSCCC(=O)N3CN4CN(C3)C(=O)CCSC[C@H](NC(=O)C(CCCCNC(N)=N)NC(=O)[C@H](Cc3c[nH]c5ccccc35)NC(=O)[C@H](Cc3c[nH]c5ccccc35)NC(=O)[C@H](CC(O)=O)NC(=O)C3CCCN3C(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CSC(=O)CC4)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)C3C[C@@H](O)CN3C2=O)C(C)C)C(N)=O)C(C)C)cc1)C(C)C
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Compound Formula C211H325N55O52S3
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
Kd = 2.5 nM
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