PPIRE16630

Target Protein Information
Protein_Name Estrogen receptor
Protein_Sequence MTMTLHTKASGMALLHQIQGNELEPLNRPQLKIPLERPLGEVYLDSSKPAVYNYPEGAAYEFNAAAAANAQVYGQTGLPYGPGSEAAAFGSNGLGGFPPLNSVSPSPLMLLHPPPQLSPFLQPHGQQVPYYLENEPSGYTVREAGPPAFYRPNSDNRRQGGRERLASTNDKGSMAMESAKETRYCAVCNDYASGYHYGVWSCEGCKAFFKRSIQGHNDYMCPATNQCTIDKNRRKSCQACRLRKCYEVGMMKGGIRKDRRGGRMLKHKRQRDDGEGRGEVGSAGDMRAANLWPSPLMIKRSKKNSLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELVHMINWAKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKCVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTFLSSTLKSLEEKDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKCKNVVPLYDLLLEMLDAHRLHAPTSRGGASVEETDQSHLATAGSTSSHSLQKYYITGEAEGFPATV
Organism_Source Homo sapiens
Functional_Classification nuclear hormone receptors
Cellular_Localization Nucleus
Gene_Names ESR1
UniProt_ID P03372
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name NR-2A(687-697)
Peptide_Sequence KILHRLLQDS
Peptide_Length 10
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=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)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)O
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1222.45
Aliphatic_Index 156.00000
Aromaticity 0.00000
Average_Rotatable_Bonds 4.30000
Charge_at_pH_7 1.08904
Isoelectric_Point 9.69702
Hydrogen_Bond_Acceptors 17
Hydrogen_Bond_Donors 19
Topological_Polar_Surface_Area 542.44000
X_logP_energy -3.96353
Interaction Information
Affinity KD=2.5 uM
Affinity_Assay binding assay
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title HOPPI-NMR: Hot-Peptide-Based Screening Assay for Inhibitors of Protein-1rotein Interactions by NMR
Release_Year 2020
PMID 32435424
DOI 10.1021/acsmedchemlett.9b00620