PPIRE16884

Target Protein Information
Protein_Name E-selectin
Protein_Sequence MIASQFLSALTLVLLIKESGAWSYNTSTEAMTYDEASAYCQQRYTHLVAIQNKEEIEYLNSILSYSPSYYWIGIRKVNNVWVWVGTQKPLTEEAKNWAPGEPNNRQKDEDCVEIYIKREKDVGMWNDERCSKKKLALCYTAACTNTSCSGHGECVETINNYTCKCDPGFSGLKCEQIVNCTALESPEHGSLVCSHPLGNFSYNSSCSISCDRGYLPSSMETMQCMSSGEWSAPIPACNVVECDAVTNPANGFVECFQNPGSFPWNTTCTFDCEEGFELMGAQSLQCTSSGNWDNEKPTCKAVTCRAVRQPQNGSVRCSHSPAGEFTFKSSCNFTCEEGFMLQGPAQVECTTQGQWTQQIPVCEAFQCTALSNPERGYMNCLPSASGSFRYGSSCEFSCEQGFVLKGSKRLQCGPTGEWDNEKPTCEAVRCDAVHQPPKGLVRCAHSPIGEFTYKSSCAFSCEEGFELHGSTQLECTSQGQWTEEVPSCQVVKCSSLAVPGKINMSCSGEPVFGTVCKFACPEGWTLNGSAARTCGATGHWSGLLPTCEAPTESNIPLVAGLSAAGLSLLTLAPFLLWLRKCLRKAKKFVPASSCQSLESDGSYQKPSYIL
Organism_Source Homo sapiens
Functional_Classification C type lectin receptors
Cellular_Localization Plasma membrane
Gene_Names SELE
UniProt_ID P16581
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name CIELFQAR
Peptide_Sequence CIELFQAR
Peptide_Length 8
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)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 979.16
Aliphatic_Index 110.00000
Aromaticity 0.12500
Average_Rotatable_Bonds 4.00000
Charge_at_pH_7 -0.06222
Isoelectric_Point 6.23243
Number_of_Hydrogen_Bond_Acceptors 13
Number_of_Hydrogen_Bond_Donors 15
Topological_Polar_Surface_Area 409.31000
X_logP_energy -2.52993
Interaction Information
Affinity KD=16.4 uM
Affinity_Assay Microscale Thermophoresis
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Rational Design of Novel Glycomimetic Peptides for E-Selectin Targeting
Release_Year 2021
PMID 33929203
DOI 10.1021/acs.jcim.1c00295