PPIRE11521

Target Protein Information
Protein_Name Tumor necrosis factor
Protein_Sequence MSTESMIRDVELAEEALPKKTGGPQGSRRCLFLSLFSFLIVAGATTLFCLLHFGVIGPQREEFPRDLSLISPLAQAVRSSSRTPSDKPVAHVVANPQAEGQLQWLNRRANALLANGVELRDNQLVVPSEGLYLIYSQVLFKGQGCPSTHVLLTHTISRIAVSYQTKVNLLSAIKSPCQRETPEGAEAKPWYEPIYLGGVFQLEKGDRLSAEINRPDYLDFAESGQVYFGIIAL
Organism_Source Homo sapiens
Functional_Classification tumor necrosis factor
Cellular_Localization Extracellular
Gene_Names TNF
UniProt_ID P01375
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name T1
Peptide_Sequence NYRLLHELYQSWWH
Peptide_Length 14
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]cn1)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 1945.17
Aliphatic_Index 83.57143
Aromaticity 0.28571
Average_Rotatable_Bonds 4.14286
Charge_at_pH_7 0.17987
Isoelectric_Point 7.69855
Number_of_Hydrogen_Bond_Acceptors 24
Number_of_Hydrogen_Bond_Donors 28
Topological_Polar_Surface_Area 776.63000
X_logP_energy -2.62353
Interaction Information
Affinity IC50=80 uM
Affinity_Assay competitive radioligand binding assay
PDB_ID None
Type antagonist
Structure
Reference Information
Document_Type Research Articles
Title Identification of anti-TNFalpha peptides with consensus sequence.
Release_Year 2003
PMID 14559240
DOI 10.1016/j.bbrc.2003.09.141