PPIRE04035
Target Protein Information
| Protein_Name | Cathepsin K |
|---|---|
| Protein_Sequence | MWGLKVLLLPVVSFALYPEEILDTHWELWKKTHRKQYNNKVDEISRRLIWEKNLKYISIHNLEASLGVHTYELAMNHLGDMTSEEVVQKMTGLKVPLSHSRSNDTLYIPEWEGRAPDSVDYRKKGYVTPVKNQGQCGSCWAFSSVGALEGQLKKKTGKLLNLSPQNLVDCVSENDGCGGGYMTNAFQYVQKNRGIDSEDAYPYVGQEESCMYNPTGKAAKCRGYREIPEGNEKALKRAVARVGPVSVAIDASLTSFQFYSKGVYYDESCNSDNLNHAVLAVGYGIQKGNKHWIIKNSWGENWGNKGYILMARNKNNACGIANLASFPKM |
| Organism_Source | Homo sapiens |
| Functional_Classification | cysteine proteases |
| Cellular_Localization | Lysosome |
| Gene_Names | CTSK |
| UniProt_ID | P43235 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | Compound 10 |
|---|---|
| Peptide_Sequence | XG |
| Peptide_Length | 2 |
| Peptide_SMILES | NCC(=O)NCC(=O)O |
| Chemical_Modification | X1=homocycloleucine |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | 3-Fluoro-4-(Piperidinecarboxamido)Benzoyl |
| C-terminal_Modification | nitrile |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 132.12 |
|---|---|
| Aliphatic_Index | 0.00000 |
| Aromaticity | 0.00000 |
| Average_Rotatable_Bonds | 1.50000 |
| Charge_at_pH_7 | -0.00202 |
| Isoelectric_Point | 6.10000 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 3 |
| Number_of_Hydrogen_Bond_Donors | 3 |
| Topological_Polar_Surface_Area | 92.42000 |
| X_logP_energy | -1.85410 |
Interaction Information
| Affinity | Ki=55 nM |
|---|---|
| Affinity_Assay | Enzyme Inhibition Kinetics |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Development of N-(Functionalized benzoyl)-homocycloleucyl-glycinonitriles as Potent Cathepsin K Inhibitors. |
| Release_Year | 2015 |
| PMID | 26280490 |
| DOI | 10.1021/acs.jmedchem.5b00746 |