PPIRE09075

Target Protein Information
Protein_Name Estrogen receptor
Protein_Sequence MTMTLHTKASGMALLHQIQGNELEPLNRPQLKIPLERPLGEVYLDSSKPAVYNYPEGAAYEFNAAAAANAQVYGQTGLPYGPGSEAAAFGSNGLGGFPPLNSVSPSPLMLLHPPPQLSPFLQPHGQQVPYYLENEPSGYTVREAGPPAFYRPNSDNRRQGGRERLASTNDKGSMAMESAKETRYCAVCNDYASGYHYGVWSCEGCKAFFKRSIQGHNDYMCPATNQCTIDKNRRKSCQACRLRKCYEVGMMKGGIRKDRRGGRMLKHKRQRDDGEGRGEVGSAGDMRAANLWPSPLMIKRSKKNSLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELVHMINWAKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKCVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTFLSSTLKSLEEKDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKCKNVVPLYDLLLEMLDAHRLHAPTSRGGASVEETDQSHLATAGSTSSHSLQKYYITGEAEGFPATV
Organism_Source Homo sapiens
Functional_Classification nuclear receptors
Cellular_Localization Nucleus
Gene_Names ESR1
UniProt_ID P03372
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name 12a
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=isoaspartic acid; X5=2,3-diaminopropionic acid
Cyclization_Method Side chain-side chain cyclization; X2<->X5; other bonds
Linear/Cyclic Cyclic
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
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 KD=85 nM
Affinity_Assay Not reported
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Development of cell-permeable peptide-based PROTACs targeting estrogen receptor Alpha.
Release_Year 2020
PMID 31865016
DOI 10.1016/j.ejmech.2019.111967