Structure of PDB 7sfo Chain B Binding Site BS02

Receptor Information
>7sfo Chain B (length=229) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELVH
MINWAKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAP
NLLLDRNQGKCVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNS
GVYTDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMS
NKGMEHLYSMKCKNVVPLSDLLLEMLDAH
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 B 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)		E353 W383 L384 L391 F404 M421 I424 F425 L428 H524
Binding residue
(residue number reindexed from 1)		E47 W77 L78 L85 F98 M115 I118 F119 L122 H206
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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