PPIRE00933
Target Protein Information
| Protein_Name | Vitamin D3 receptor |
|---|---|
| Protein_Sequence | MEAMAASTSLPDPGDFDRNVPRICGVCGDRATGFHFNAMTCEGCKGFFRRSMKRKALFTCPFNGDCRITKDNRRHCQACRLKRCVDIGMMKEFILTDEEVQRKREMILKRKEEEALKDSLRPKLSEEQQRIIAILLDAHHKTYDPTYSDFCQFRPPVRVNDGGGSHPSRPNSRHTPSFSGDSSSSCSDHCITSSDMMDSSSFSNLDLSEEDSDDPSVTLELSQLSMLPHLADLVSYSIQKVIGFAKMIPGFRDLTSEDQIVLLKSSAIEVIMLRSNESFTMDDMSWTCGNQDYKYRVSDVTKAGHSLELIEPLIKFQVGLKKLNLHEEEHVLLMAICIVSPDRPGVQDAALIEAIQDRLSNTLQTYIRCRHPPPGSHLLYAKMIQKLADLRSLNEEHSKQYRCLSFQPECSMKLTPLVLEVFGNEIS |
| Organism_Source | Homo sapiens |
| Functional_Classification | nuclear receptors |
| Cellular_Localization | nucleus |
| Gene_Names | VDR |
| UniProt_ID | P11473 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | DPI-06 |
|---|---|
| Peptide_Sequence | LLXLLLX |
| Peptide_Length | 7 |
| Peptide_SMILES | CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O |
| Chemical_Modification | X3=L-homoserine; X7=L-homoserine |
| Cyclization_Method | side chain-side chain cyclization; X3<->X7; other bonds |
| Linear/Cyclic | Cyclic |
| N-terminal_Modification | Free |
| C-terminal_Modification | Free |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 697.92 |
|---|---|
| Aliphatic_Index | 278.57143 |
| Aromaticity | 0.00000 |
| Average_Rotatable_Bonds | 3.28571 |
| Charge_at_pH_7 | -0.00202 |
| Isoelectric_Point | 6.10000 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 8 |
| Number_of_Hydrogen_Bond_Donors | 8 |
| Topological_Polar_Surface_Area | 237.92000 |
| X_logP_energy | 0.80040 |
Interaction Information
| Affinity | IC50=220 uM |
|---|---|
| Affinity_Assay | receptor cofactor assay |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Structural development of stapled short helical peptides as vitamin D receptor (VDR)-coactivator interaction inhibitors. |
| Release_Year | 2015 |
| PMID | 25637122 |
| DOI | 10.1016/j.bmc.2015.01.007 |