PPIRE12749

Target Protein Information
Protein_Name Urokinase-type plasminogen activator
Protein_Sequence MRALLARLLLCVLVVSDSKGSNELHQVPSNCDCLNGGTCVSNKYFSNIHWCNCPKKFGGQHCEIDKSKTCYEGNGHFYRGKASTDTMGRPCLPWNSATVLQQTYHAHRSDALQLGLGKHNYCRNPDNRRRPWCYVQVGLKLLVQECMVHDCADGKKPSSPPEELKFQCGQKTLRPRFKIIGGEFTTIENQPWFAAIYRRHRGGSVTYVCGGSLISPCWVISATHCFIDYPKKEDYIVYLGRSRLNSNTQGEMKFEVENLILHKDYSADTLAHHNDIALLKIRSKEGRCAQPSRTIQTICLPSMYNDPQFGTSCEITGFGKENSTDYLYPEQLKMTVVKLISHRECQQPHYYGSEVTTKMLCAADPQWKTDSCQGDSGGPLVCSLQGRMTLTGIVSWGRGCALKDKPGVYTRVSHFLPWIRSHTKEENGLAL
Organism_Source Homo sapiens
Functional_Classification serine proteases
Cellular_Localization Extracellular
Gene_Names PLAU
UniProt_ID P00749
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name UK18
Peptide_Sequence ACSRYEVDCRGRGSACG
Peptide_Length 17
Peptide_SMILES CC(C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)NCC(=O)O
Chemical_Modification None
Cyclization_Method Multi-point cyclization; C2<->C9; other bonds; C9<->C16; other bonds
Linear/Cyclic Cyclic
N-terminal_Modification Free
C-terminal_Modification amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1789.98
Aliphatic_Index 28.82353
Aromaticity 0.05882
Average_Rotatable_Bonds 3.41176
Charge_at_pH_7 0.81342
Isoelectric_Point 8.04182
Number_of_Hydrogen_Bond_Acceptors 29
Number_of_Hydrogen_Bond_Donors 35
Topological_Polar_Surface_Area 849.91000
X_logP_energy -13.40329
Interaction Information
Affinity Ki=53 nM
Affinity_Assay Enzyme Inhibition Kinetics
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Bicyclic peptide inhibitor reveals large contact interface with a protease target.
Release_Year 2012
PMID 22304751
DOI 10.1021/cb200478t