Structure of PDB 7rnm Chain A Binding Site BS02

Receptor Information
>7rnm Chain A (length=219) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ALSLTADQMVSALLDAEPPILYSEASMMGLLTNLADRELVHMINWAKRVP
GFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQG
MVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTLEEKDHIHRV
LDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSM
KCKNVVPLSDLLLEMLDAH
Ligand information
Ligand ID61Z
InChIInChI=1S/C20H14ClN3OS/c21-20-22-18(24-9-13-6-7-15(25)8-14(13)10-24)17-16(11-26-19(17)23-20)12-4-2-1-3-5-12/h1-8,11,25H,9-10H2
InChIKeyUEFPXXUPWRHSCV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Oc1ccc2CN(Cc2c1)c3nc(Cl)nc4scc(c5ccccc5)c34
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2csc3c2c(nc(n3)Cl)N4Cc5ccc(cc5C4)O
ACDLabs 12.01Oc1ccc2CN(Cc2c1)c1nc(Cl)nc2scc(c12)c1ccccc1
FormulaC20 H14 Cl N3 O S
Name2-(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-isoindol-5-ol
ChEMBL
DrugBank
ZINC
PDB chain7rnm 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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PDB7rnm TBD
Resolution1.9 Å
Binding residue
(original residue number in PDB)		L346 T347 A350 E353 L387 F404 F425 H524
Binding residue
(residue number reindexed from 1)		L31 T32 A35 E38 L72 F89 F105 H196
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7rnm, PDBe:7rnm, PDBj:7rnm
PDBsum7rnm
PubMed
UniProtP03372|ESR1_HUMAN Estrogen receptor (Gene Name=ESR1)

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