PPIRE02502
Target Protein Information
| Protein_Name | Proto-oncogene tyrosine-protein kinase Src |
|---|---|
| Protein_Sequence | MGSNKSKPKDASQRRRSLEPAENVHGAGGGAFPASQTPSKPASADGHRGPSAAFAPAAAEPKLFGGFNSSDTVTSPQRAGPLAGGVTTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLSTGQTGYIPSNYVAPSDSIQAEEWYFGKITRRESERLLLNAENPRGTFLVRESETTKGAYCLSVSDFDNAKGLNVKHYKIRKLDSGGFYITSRTQFNSLQQLVAYYSKHADGLCHRLTTVCPTSKPQTQGLAKDAWEIPRESLRLEVKLGQGCFGEVWMGTWNGTTRVAIKTLKPGTMSPEAFLQEAQVMKKLRHEKLVQLYAVVSEEPIYIVTEYMSKGSLLDFLKGETGKYLRLPQLVDMAAQIASGMAYVERMNYVHRDLRAANILVGENLVCKVADFGLARLIEDNEYTARQGAKFPIKWTAPEAALYGRFTIKSDVWSFGILLTELTTKGRVPYPGMVNREVLDQVERGYRMPCPPECPESLHDLMCQCWRKEPEERPTFEYLQAFLEDYFTSTEPQYQPGENL |
| Organism_Source | Homo sapiens |
| Functional_Classification | Enzyme |
| Cellular_Localization | Plasma membrane |
| Gene_Names | SRC |
| UniProt_ID | P12931 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | peptide 18 |
|---|---|
| Peptide_Sequence | YXYGSFCR |
| Peptide_Length | 8 |
| Peptide_SMILES | N=C(N)NCCC[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O |
| Chemical_Modification | X2=penicillamine |
| Cyclization_Method | X2<->C7, side chain cyclization, disulfide bond |
| Linear/Cyclic | Cyclic |
| N-terminal_Modification | Free |
| C-terminal_Modification | amide |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 952.05 |
|---|---|
| Aliphatic_Index | 0.00000 |
| Aromaticity | 0.37500 |
| Average_Rotatable_Bonds | 3.37500 |
| Charge_at_pH_7 | 0.93431 |
| Isoelectric_Point | 8.50655 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 14 |
| Number_of_Hydrogen_Bond_Donors | 16 |
| Topological_Polar_Surface_Area | 389.61000 |
| X_logP_energy | -3.62063 |
Interaction Information
| Affinity | IC50=4.5 uM |
|---|---|
| Affinity_Assay | Enzyme Inhibition Kinetics |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Discovery of a novel series of potent and selective substrate-based inhibitors of p60c-src protein tyrosine kinase: conformational and topographical constraints in peptide design |
| Release_Year | 1998 |
| PMID | 9632358 |
| DOI | 10.1021/jm9707885 |