PPIPT02791

Target Protein Information
Protein_Name E-selectin
Protein_Sequence MIASQFLSALTLVLLIKESGAWSYNTSTEAMTYDEASAYCQQRYTHLVAIQNKEEIEYLNSILSYSPSYYWIGIRKVNNVWVWVGTQKPLTEEAKNWAPGEPNNRQKDEDCVEIYIKREKDVGMWNDERCSKKKLALCYTAACTNTSCSGHGECVETINNYTCKCDPGFSGLKCEQIVNCTALESPEHGSLVCSHPLGNFSYNSSCSISCDRGYLPSSMETMQCMSSGEWSAPIPACNVVECDAVTNPANGFVECFQNPGSFPWNTTCTFDCEEGFELMGAQSLQCTSSGNWDNEKPTCKAVTCRAVRQPQNGSVRCSHSPAGEFTFKSSCNFTCEEGFMLQGPAQVECTTQGQWTQQIPVCEAFQCTALSNPERGYMNCLPSASGSFRYGSSCEFSCEQGFVLKGSKRLQCGPTGEWDNEKPTCEAVRCDAVHQPPKGLVRCAHSPIGEFTYKSSCAFSCEEGFELHGSTQLECTSQGQWTEEVPSCQVVKCSSLAVPGKINMSCSGEPVFGTVCKFACPEGWTLNGSAARTCGATGHWSGLLPTCEAPTESNIPLVAGLSAAGLSLLTLAPFLLWLRKCLRKAKKFVPASSCQSLESDGSYQKPSYIL
Organism_Source Homo sapiens
Functional_Classification Selectin cell adhesion receptor
Cellular_Localization Plasma membrane
Gene_Names SELE
UniProt_ID P16581
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name QITWAQLWNMMK
Peptide_Sequence QITWAQLWNMMK
Peptide_Length 12
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)O
Chemical_Modification None
Cyclization_Method none
Linear/Cyclic Linear
N-terminal_Modification free
C-terminal_Modification free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1549.87
Aliphatic_Index 73.33333
Aromaticity 0.16667
Average_Rotatable_Bonds 4.16667
Charge_at_pH_7 0.99769
Isoelectric_point 9.70000
Hydrogen_Bond_Acceptors 20
Hydrogen_Bond_Donors 20
Topological_Polar_Surface_Area 590.52000
X_logP_energy -2.28640
Interaction Information
Affinity IC50=160 nM
Affinity_Assay Not specified
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Patent
Title Selectin and icam/vcam peptide ligand conjugates
Release_Year 2018
Patent_ID US20180326077A1