PPIRE02000
Target Protein Information
| Protein_Name | Estrogen receptor |
|---|---|
| Protein_Sequence | MTMTLHTKASGMALLHQIQGNELEPLNRPQLKIPLERPLGEVYLDSSKPAVYNYPEGAAYEFNAAAAANAQVYGQTGLPYGPGSEAAAFGSNGLGGFPPLNSVSPSPLMLLHPPPQLSPFLQPHGQQVPYYLENEPSGYTVREAGPPAFYRPNSDNRRQGGRERLASTNDKGSMAMESAKETRYCAVCNDYASGYHYGVWSCEGCKAFFKRSIQGHNDYMCPATNQCTIDKNRRKSCQACRLRKCYEVGMMKGGIRKDRRGGRMLKHKRQRDDGEGRGEVGSAGDMRAANLWPSPLMIKRSKKNSLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELVHMINWAKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKCVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTFLSSTLKSLEEKDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKCKNVVPLYDLLLEMLDAHRLHAPTSRGGASVEETDQSHLATAGSTSSHSLQKYYITGEAEGFPATV |
| Organism_Source | Homo sapiens |
| Functional_Classification | Receptor |
| Cellular_Localization | Nucleus |
| Gene_Names | ESR1 |
| UniProt_ID | P03372 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | Peptide 2 |
|---|---|
| Peptide_Sequence | RXILXRLLQ |
| Peptide_Length | 9 |
| Peptide_SMILES | CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O |
| Chemical_Modification | X2=Lanthionine;X5=Lanthionine |
| Cyclization_Method | C2<->C5, 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 | 1025.26 |
|---|---|
| Aliphatic_Index | 173.33333 |
| Aromaticity | 0.00000 |
| Average_Rotatable_Bonds | 4.00000 |
| Charge_at_pH_7 | 1.99798 |
| Isoelectric_Point | 12.50011 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 13 |
| Number_of_Hydrogen_Bond_Donors | 17 |
| Topological_Polar_Surface_Area | 463.01000 |
| X_logP_energy | -3.48406 |
Interaction Information
| Affinity | Ki=1.18 uM |
|---|---|
| Affinity_Assay | Time-resolved fluorescence-based coactivator interaction assay |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Thioether side chain cyclization for helical peptide formation: inhibitors of estrogen receptor-coactivator interactions. |
| Release_Year | 2004 |
| PMID | 15049842 |
| DOI | 10.1111/j.1399-3011.2004.00152.x |