PPIRE06206
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 | Ac-CIF(4-NHCOCH2PhPP)KYY |
|---|---|
| Peptide_Sequence | CIXKYY |
| Peptide_Length | 6 |
| Peptide_SMILES | CC[C@H](C)[C@H](NC(=O)[C@@H](N)CS)C(=O)NCC(=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 | X3=4-NHCOCH2PhPP |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Acetyl |
| C-terminal_Modification | Free |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 745.89 |
|---|---|
| Aliphatic_Index | 65.00000 |
| Aromaticity | 0.33333 |
| Average_Rotatable_Bonds | 3.66667 |
| Charge_at_pH_7 | 0.93401 |
| Isoelectric_Point | 8.50263 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 11 |
| Number_of_Hydrogen_Bond_Donors | 11 |
| Topological_Polar_Surface_Area | 275.30000 |
| X_logP_energy | -0.54480 |
Interaction Information
| Affinity | IC50=0.59 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 |