PPIRE08452

Target Protein Information
Protein_Name Integrin beta-3
Protein_Sequence MRARPRPRPLWATVLALGALAGVGVGGPNICTTRGVSSCQQCLAVSPMCAWCSDEALPLGSPRCDLKENLLKDNCAPESIEFPVSEARVLEDRPLSDKGSGDSSQVTQVSPQRIALRLRPDDSKNFSIQVRQVEDYPVDIYYLMDLSYSMKDDLWSIQNLGTKLATQMRKLTSNLRIGFGAFVDKPVSPYMYISPPEALENPCYDMKTTCLPMFGYKHVLTLTDQVTRFNEEVKKQSVSRNRDAPEGGFDAIMQATVCDEKIGWRNDASHLLVFTTDAKTHIALDGRLAGIVQPNDGQCHVGSDNHYSASTTMDYPSLGLMTEKLSQKNINLIFAVTENVVNLYQNYSELIPGTTVGVLSMDSSNVLQLIVDAYGKIRSKVELEVRDLPEELSLSFNATCLNNEVIPGLKSCMGLKIGDTVSFSIEAKVRGCPQEKEKSFTIKPVGFKDSLIVQVTFDCDCACQAQAEPNSHRCNNGNGTFECGVCRCGPGWLGSQCECSEEDYRPSQQDECSPREGQPVCSQRGECLCGQCVCHSSDFGKITGKYCECDDFSCVRYKGEMCSGHGQCSCGDCLCDSDWTGYYCNCTTRTDTCMSSNGLLCSGRGKCECGSCVCIQPGSYGDTCEKCPTCPDACTFKKECVECKKFDRGALHDENTCNRYCRDEIESVKELKDTGKDAVNCTYKNEDDCVVRFQYYEDSSGKSILYVVEEPECPKGPDILVVLLSVMGAILLIGLAALLIWKLLITIHDRKEFAKFEEERARAKWDTANNPLYKEATSTFTNITYRGT
Organism_Source Homo sapiens
Functional_Classification integrins
Cellular_Localization Plasma membrane
Gene_Names ITGB3
UniProt_ID P05106
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name Peptide 4
Peptide_Sequence GIDLTSLTK
Peptide_Length 9
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)CN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)O)[C@@H](C)O
Chemical_Modification K9=4-fluorobenzoyl
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 947.10
Aliphatic_Index 130.00000
Aromaticity 0.00000
Average_Rotatable_Bonds 3.55556
Charge_at_pH_7 -0.00186
Isoelectric_Point 6.33737
Number_of_Hydrogen_Bond_Acceptors 15
Number_of_Hydrogen_Bond_Donors 15
Topological_Polar_Surface_Area 420.13000
X_logP_energy -4.59600
Interaction Information
Affinity IC50=100 uM
Affinity_Assay ELISA
PDB_ID None
Type Affinity ligand
Structure
Reference Information
Document_Type Research Articles
Title Identification, Characterization, and Optimization of Integrin AlphavBeta?-Targeting Peptides from a One-Bead One-Compound (OBOC)Library: Towards the Development of Positron Emission Tomography (PET)Imaging Agents.
Release_Year 2019
PMID 30654483
DOI 10.3390/molecules24020309