Brief Information of the Compound and Protein
Compound Name
 Compound Info 
2-((3S,6R,11R,14R,20S,28aS)-11-amino-6-carbamoyl-27-hydroxy-20-(4-hydroxy-3-nitrobenzyl)-3-(2-hydroxyethyl)-1,4,12,15,18,21,24-heptaoxohexacosahydropyrrolo[2,1-j][1,2,5,8,11,14,17,20,23]dithiaheptaazacyclohexacosin-14-yl)acetic acid
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 PubChem ID
CID: 73345654
Canonical SMILES
NC(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)c([N+](=O)[O-])c2)C(=O)NCC(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CCO)C(=O)N1
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Compound Formula C32H44N10O15S2
Compound Structure
Protein Name
 Protein Info 
Integrin alpha-3
Protein Classification
Membrane receptor
Uniprot ID
P26006
Gene Name
ITGA3
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000111 MDA-MB-231
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 190 nM
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