PPIRE11545

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 T9
Peptide_Sequence QPLLHEIFFHFFMY
Peptide_Length 14
Peptide_SMILES CC[C@H](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]1CCCN1C(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1ccc(O)cc1)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 1869.21
Aliphatic_Index 83.57143
Aromaticity 0.35714
Average_Rotatable_Bonds 3.92857
Charge_at_pH_7 -0.81927
Isoelectric_Point 6.49754
Number_of_Hydrogen_Bond_Acceptors 21
Number_of_Hydrogen_Bond_Donors 19
Topological_Polar_Surface_Area 590.81000
X_logP_energy 2.07930
Interaction Information
Affinity IC50=10 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