PPIRE05367
Target Protein Information
| Protein_Name | Histone deacetylase 3 |
|---|---|
| Protein_Sequence | MAKTVAYFYDPDVGNFHYGAGHPMKPHRLALTHSLVLHYGLYKKMIVFKPYQASQHDMCRFHSEDYIDFLQRVSPTNMQGFTKSLNAFNVGDDCPVFPGLFEFCSRYTGASLQGATQLNNKICDIAINWAGGLHHAKKFEASGFCYVNDIVIGILELLKYHPRVLYIDIDIHHGDGVQEAFYLTDRVMTVSFHKYGNYFFPGTGDMYEVGAESGRYYCLNVPLRDGIDDQSYKHLFQPVINQVVDFYQPTCIVLQCGADSLGCDRLGCFNLSIRGHGECVEYVKSFNIPLLVLGGGGYTVRNVARCWTYETSLLVEEAISEELPYSEYFEYFAPDFTLHPDVSTRIENQNSRQYLDQIRQTIFENLKMLNHAPSVQIHDVPADLLTYDRTDEADAEERGPEENYSRPEAPNEFYDGDHDNDKESDVEI |
| Organism_Source | Homo sapiens |
| Functional_Classification | histone deacetylases |
| Cellular_Localization | Nucleus |
| Gene_Names | HDAC3 |
| UniProt_ID | O15379 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | compound 1 |
|---|---|
| Peptide_Sequence | RGXG |
| Peptide_Length | 4 |
| Peptide_SMILES | N=C(N)NCCC[C@H](N)C(=O)NCC(=O)NCC(=O)NCC(=O)O |
| Chemical_Modification | X3=benzamide-protected aminosuberic acid |
| Cyclization_Method | Main chain-main chain cyclization; R1<->G4; amide bond |
| Linear/Cyclic | Cyclic |
| N-terminal_Modification | Free |
| C-terminal_Modification | None |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 345.36 |
|---|---|
| Aliphatic_Index | 0.00000 |
| Aromaticity | 0.00000 |
| Average_Rotatable_Bonds | 2.75000 |
| Charge_at_pH_7 | 0.99798 |
| Isoelectric_Point | 10.55000 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 6 |
| Number_of_Hydrogen_Bond_Donors | 8 |
| Topological_Polar_Surface_Area | 212.52000 |
| X_logP_energy | -3.98983 |
Interaction Information
| Affinity | IC50=46.9 uM |
|---|---|
| Affinity_Assay | Enzyme Inhibition Kinetics |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Design and synthesis of novel hybrid benzamide-peptide histone deacetylase inhibitors. |
| Release_Year | 2009 |
| PMID | 19362838 |
| DOI | 10.1016/j.bmcl.2009.03.085 |