PPIRE09752

Target Protein Information
Protein_Name Urokinase-type plasminogen activator
Protein_Sequence MKVWLASLFLCALVVKNSEGGSVLGAPDESNCGCQNGGVCVSYKYFSRIRRCSCPRKFQGEHCEIDASKTCYHGNGDSYRGKANTDTKGRPCLAWNAPAVLQKPYNAHRPDAISLGLGKHNYCRNPDNQKRPWCYVQIGLRQFVQECMVHDCSLSKKPSSSVDQQGFQCGQKALRPRFKIVGGEFTEVENQPWFAAIYQKNKGGSPPSFKCGGSLISPCWVASAAHCFIQLPKKENYVVYLGQSKESSYNPGEMKFEVEQLILHEYYREDSLAYHNDIALLKIRTSTGQCAQPSRSIQTICLPPRFTDAPFGSDCEITGFGKESESDYLYPKNLKMSVVKLVSHEQCMQPHYYGSEINYKMLCAADPEWKTDSCKGDSGGPLICNIEGRPTLSGIVSWGRGCAEKNKPGVYTRVSHFLDWIQSHIGEEKGLAF
Organism_Source Mus musculus
Functional_Classification serine proteases
Cellular_Localization Extracellular
Gene_Names Plau
UniProt_ID P06869
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name IG-1
Peptide_Sequence CPAYSRYIGC
Peptide_Length 10
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CS)C(=O)NCC(=O)N[C@@H](CS)C(=O)O
Chemical_Modification None
Cyclization_Method Side chain-side chain cyclization; C1<->C10; disulfide bond
Linear/Cyclic Cyclic
N-terminal_Modification Acetyl
C-terminal_Modification amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1132.32
Aliphatic_Index 49.00000
Aromaticity 0.20000
Average_Rotatable_Bonds 3.10000
Charge_at_pH_7 0.87233
Isoelectric_Point 8.21452
Number_of_Hydrogen_Bond_Acceptors 17
Number_of_Hydrogen_Bond_Donors 18
Topological_Polar_Surface_Area 439.02000
X_logP_energy -4.02313
Interaction Information
Affinity Ki=20 nM
Affinity_Assay Enzyme Inhibition Kinetics
PDB_ID 6A8G
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Suppression of Tumor Growth and Metastases by Targeted Intervention in Urokinase Activity with Cyclic Peptides.
Release_Year 2019
PMID 30707839
DOI 10.1021/acs.jmedchem.8b01908