Structure of PDB 7sfo Chain A Binding Site BS02

Receptor Information
>7sfo Chain A (length=220) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LSLTADQMVSALLDAEPPILYSFSEASMMGLLTNLADRELVHMINWAKRV
PGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQ
GMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTLEEKDHIHR
VLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYS
MKCKNVVPLSDLLLEMLDAH
Ligand information
Ligand ID98L
InChIInChI=1S/C19H14ClN3OS/c20-19-22-17(21-10-12-5-4-8-14(24)9-12)16-15(11-25-18(16)23-19)13-6-2-1-3-7-13/h1-9,11,24H,10H2,(H,21,22,23)
InChIKeyMSGBLTMRTAWJCK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2csc3c2c(nc(n3)Cl)NCc4cccc(c4)O
ACDLabs 12.01Oc1cccc(c1)CNc1nc(Cl)nc2scc(c12)c1ccccc1
CACTVS 3.385Oc1cccc(CNc2nc(Cl)nc3scc(c4ccccc4)c23)c1
FormulaC19 H14 Cl N3 O S
Name3-{[(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl}phenol
ChEMBLCHEMBL5184474
DrugBank
ZINC
PDB chain7sfo Chain A Residue 601 [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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PDB7sfo Estrogen Receptor Alpha
Resolution1.9 Å
Binding residue
(original residue number in PDB)		M343 E353 L384 I424 F425 H524
Binding residue
(residue number reindexed from 1)		M29 E39 L70 I105 F106 H197
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7sfo, PDBe:7sfo, PDBj:7sfo
PDBsum7sfo
PubMed
UniProtP03372|ESR1_HUMAN Estrogen receptor (Gene Name=ESR1)

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