Structure of PDB 5dz1 Chain B Binding Site BS02

Receptor Information
>5dz1 Chain B (length=241) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADREL
VHMINWAKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLF
APNLLLDRNQGKCVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILL
NSGVYTFTLKSLEEKDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQL
LLILSHIRHMSNKGMEHLYSMKCKNVVPLSDLLLEMLDAHR
Ligand information
Ligand ID5JY
InChIInChI=1S/C21H24O2/c1-2-15-3-5-16(6-4-15)21(17-7-11-19(22)12-8-17)18-9-13-20(23)14-10-18/h7-15,22-23H,2-6H2,1H3
InChIKeyLEZGCOYFXQAYPT-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC[CH]1CC[C](CC1)=[C](c2ccc(O)cc2)c3ccc(O)cc3
OpenEye OEToolkits 1.9.2CCC1CCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)CC1
ACDLabs 12.01Oc3ccc(/C(c1ccc(O)cc1)=C2/CCC(CC)CC2)cc3
FormulaC21 H24 O2
Name4,4'-[(4-ethylcyclohexylidene)methanediyl]diphenol
ChEMBLCHEMBL204739
DrugBank
ZINCZINC000013685644
PDB chain5dz1 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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PDB5dz1 Predictive features of ligand-specific signaling through the estrogen receptor.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		M343 L346 T347 A350 E353 L387 R394 L525
Binding residue
(residue number reindexed from 1)		M39 L42 T43 A46 E49 L83 R90 L218
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5dz1, PDBe:5dz1, PDBj:5dz1
PDBsum5dz1
PubMed27107013
UniProtP03372|ESR1_HUMAN Estrogen receptor (Gene Name=ESR1)

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