PPIRE07738

Target Protein Information
Protein_Name Estrogen receptor
Protein_Sequence MTMTLHTKASGMALLHQIQGNELEPLNRPQLKIPLERPLGEVYLDSSKPAVYNYPEGAAYEFNAAAAANAQVYGQTGLPYGPGSEAAAFGSNGLGGFPPLNSVSPSPLMLLHPPPQLSPFLQPHGQQVPYYLENEPSGYTVREAGPPAFYRPNSDNRRQGGRERLASTNDKGSMAMESAKETRYCAVCNDYASGYHYGVWSCEGCKAFFKRSIQGHNDYMCPATNQCTIDKNRRKSCQACRLRKCYEVGMMKGGIRKDRRGGRMLKHKRQRDDGEGRGEVGSAGDMRAANLWPSPLMIKRSKKNSLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELVHMINWAKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKCVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTFLSSTLKSLEEKDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKCKNVVPLYDLLLEMLDAHRLHAPTSRGGASVEETDQSHLATAGSTSSHSLQKYYITGEAEGFPATV
Organism_Source Homo sapiens
Functional_Classification nuclear receptor
Cellular_Localization Nucleus
Gene_Names ESR1
UniProt_ID P03372
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name NR box octapeptide
Peptide_Sequence ILRKLLQE
Peptide_Length 8
Peptide_SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)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](CCC(=O)O)C(=O)O
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Tmr
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1012.26
Aliphatic_Index 195.00000
Aromaticity 0.00000
Average_Rotatable_Bonds 4.62500
Charge_at_pH_7 0.99946
Isoelectric_Point 9.69503
Number_of_Hydrogen_Bond_Acceptors 13
Number_of_Hydrogen_Bond_Donors 15
Topological_Polar_Surface_Area 435.33000
X_logP_energy -1.50113
Interaction Information
Affinity KD=190 nM
Affinity_Assay fluorescence anisotropy
PDB_ID None
Type Allosteric modulator
Structure
Reference Information
Document_Type Research Articles
Title Design, synthesis, and in vitro biological evaluation of small molecule inhibitors of estrogen receptor alpha coactivator binding.
Release_Year 2004
PMID 14736241
DOI 10.1021/jm030404c