Structure of PDB 5dyb Chain B Binding Site BS02

Receptor Information
>5dyb Chain B (length=234) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADREL
VHMINWAKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLF
APNLLLDRNQGKMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGV
YTKSLEEKDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHI
RHMSNKGMEHLYSMKCKNVVPLSDLLLEMLDAHR
Ligand information
Ligand ID5K2
InChIInChI=1S/C23H20O2/c24-21-11-7-17(8-12-21)23(18-9-13-22(25)14-10-18)20-6-5-16-3-1-2-4-19(16)15-20/h1-4,7-14,24-25H,5-6,15H2
InChIKeyVWBHJKZUPJSBJB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1ccc2c(c1)CCC(=C(c3ccc(cc3)O)c4ccc(cc4)O)C2
CACTVS 3.385Oc1ccc(cc1)C(=C2CCc3ccccc3C2)c4ccc(O)cc4
ACDLabs 12.01C\2Cc1ccccc1CC/2=C(\c3ccc(cc3)O)c4ccc(cc4)O
FormulaC23 H20 O2
Name4,4'-(3,4-dihydronaphthalen-2(1H)-ylidenemethanediyl)diphenol
ChEMBL
DrugBank
ZINCZINC000584904965
PDB chain5dyb Chain B Residue 901 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5dyb Predictive features of ligand-specific signaling through the estrogen receptor.
Resolution2.27 Å
Binding residue
(original residue number in PDB)		T347 A350 E353 L387 F404 M421 I424 L428 L525
Binding residue
(residue number reindexed from 1)		T43 A46 E49 L83 F100 M113 I116 L120 L211
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5dyb, PDBe:5dyb, PDBj:5dyb
PDBsum5dyb
PubMed27107013
UniProtP03372|ESR1_HUMAN Estrogen receptor (Gene Name=ESR1)

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