Brief Information of the Compound and Protein
Compound Name
 Compound Info 
2-((3S,6R,11R,14R,20S,28aS)-11-amino-3-(2-amino-2-oxoethyl)-6-carbamoyl-27-hydroxy-20-isobutyl-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: 73353235
Canonical SMILES
CC(C)C[C@@H]1NC(=O)CNC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](N)CSSC[C@@H](C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)CNC1=O
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Compound Formula C29H46N10O12S2
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)  2
1
IC50 = 550 nM
   TI
   LI
   LO
   TS
2
Kd = 400 nM
   TI
   LI
   LO
   TS