Structure of PDB 8zyp Chain C Binding Site BS01

Receptor Information
>8zyp Chain C (length=210) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KAVWDWLILLLVIYTAVFTPYSAAFLLKLAVVDLIVDIMFIVDILINFGR
IAVHYFKGWFLIDMVAAIPFDLLIGLLKTARLLRLVRVARKLDRYSEYGA
AVLFLLMCTFALIAHWLACIWYAIGNMEQPHRIGWLHNLGDQIGKPYGGP
SIKDKYVTALYFTFSSLTSVGFGNVSPNTNSEKIFSICVMLIGSLMYASI
FGNVSAIIQR
Ligand information
Ligand IDA1L2J
InChIInChI=1S/C21H27N3O3S/c1-16-4-3-5-19(22-16)12-15-24-13-10-18(11-14-24)21(25)17-6-8-20(9-7-17)23-28(2,26)27/h3-9,18,23H,10-15H2,1-2H3
InChIKeySRUISGSHWFJION-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Cc1cccc(CCN2CCC(CC2)C(=O)c3ccc(N[S](C)(=O)=O)cc3)n1
OpenEye OEToolkits 2.0.7Cc1cccc(n1)CCN2CCC(CC2)C(=O)c3ccc(cc3)NS(=O)(=O)C
FormulaC21 H27 N3 O3 S
Name~{N}-[4-[1-[2-(6-methylpyridin-2-yl)ethyl]piperidin-4-yl]carbonylphenyl]methanesulfonamide
ChEMBL
DrugBank
ZINC
PDB chain8zyp Chain C Residue 1101 [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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PDB8zyp Improved higher resolution Cryo-EM structures reveal the binding modes of hERG Channel Inhibitors
Resolution3.19 Å
Binding residue
(original residue number in PDB)		S621 L622 S624 M645 G648 S649 Y652
Binding residue
(residue number reindexed from 1)		S166 L167 S169 M190 G193 S194 Y197
Annotation score1
External links
PDB RCSB:8zyp, PDBe:8zyp, PDBj:8zyp
PDBsum8zyp
PubMed
UniProtQ12809|KCNH2_HUMAN Potassium voltage-gated channel subfamily H member 2 (Gene Name=KCNH2)

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