Brief Information of the Compound and Protein
Compound Name
2-[(2S,5R,8S,11S)-5-benzyl-11-(3-carbamimidamidopropyl)-8-({4-[(2-{2-[2-({N'-[(1E)-[(19S)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]methylidene]hydrazinecarbonyl}methoxy)ethoxy]ethoxy}acetamido)methyl]phenyl}methyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentaazacyclopentadecan-2-yl]acetic acid
    Show/Hide
PubChem ID
CID: 46229422
Canonical SMILES
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2/C=N/NC(=O)COCCOCCOCC(=O)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC2=O)cc1
    Show/Hide
Compound Formula C60H69N13O16
Compound Structure
Protein Name
Integrin alpha-V
Protein Classification
Membrane receptor
Uniprot ID
P06756
Gene Name
ITGAV
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000048 PC-3 Homo sapiens (Human)  1
1
IC50 = 4800 nM
   TI
   LI
   LO
   TS