PPIRE07290
Target Protein Information
| Protein_Name | Proto-oncogene tyrosine-protein kinase Src |
|---|---|
| Protein_Sequence | MGSNKSKPKDASQRRRSLEPAENVHGAGGGAFPASQTPSKPASADGHRGPSAAFAPAAAEPKLFGGFNSSDTVTSPQRAGPLAGGVTTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLSTGQTGYIPSNYVAPSDSIQAEEWYFGKITRRESERLLLNAENPRGTFLVRESETTKGAYCLSVSDFDNAKGLNVKHYKIRKLDSGGFYITSRTQFNSLQQLVAYYSKHADGLCHRLTTVCPTSKPQTQGLAKDAWEIPRESLRLEVKLGQGCFGEVWMGTWNGTTRVAIKTLKPGTMSPEAFLQEAQVMKKLRHEKLVQLYAVVSEEPIYIVTEYMSKGSLLDFLKGETGKYLRLPQLVDMAAQIASGMAYVERMNYVHRDLRAANILVGENLVCKVADFGLARLIEDNEYTARQGAKFPIKWTAPEAALYGRFTIKSDVWSFGILLTELTTKGRVPYPGMVNREVLDQVERGYRMPCPPECPESLHDLMCQCWRKEPEERPTFEYLQAFLEDYFTSTEPQYQPGENL |
| Organism_Source | Homo sapiens |
| Functional_Classification | kinases |
| Cellular_Localization | Cytoplasm |
| Gene_Names | SRC |
| UniProt_ID | P12931 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | PhPP-CH2PhCO-CIYKYY |
|---|---|
| Peptide_Sequence | XCIYKYY |
| Peptide_Length | 7 |
| Peptide_SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O |
| Chemical_Modification | X1=PhPP-CH2PhCO |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Free |
| C-terminal_Modification | Free |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 909.07 |
|---|---|
| Aliphatic_Index | 55.71429 |
| Aromaticity | 0.42857 |
| Average_Rotatable_Bonds | 3.71429 |
| Charge_at_pH_7 | 0.93316 |
| Isoelectric_Point | 8.48391 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 13 |
| Number_of_Hydrogen_Bond_Donors | 13 |
| Topological_Polar_Surface_Area | 324.63000 |
| X_logP_energy | -0.11170 |
Interaction Information
| Affinity | IC50=0.8 uM |
|---|---|
| Affinity_Assay | radioactive kinase assay |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Synthesis and evaluation of 3-phenylpyrazolo[3,4-d]pyrimidine-peptide conjugates as Src kinase inhibitors. |
| Release_Year | 2007 |
| PMID | 17530729 |
| DOI | 10.1002/cmdc.200700074 |