Structure of PDB 8zyq Chain C Binding Site BS01

Receptor Information
>8zyq 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 ID1II
InChIInChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34)
InChIKeyYVUQSNJEYSNKRX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Fc1ccc(cc1)C(CCCN2CCC(CC2)N3C(=O)Nc4ccccc34)c5ccc(F)cc5
OpenEye OEToolkits 2.0.7c1ccc2c(c1)NC(=O)N2C3CCN(CC3)CCCC(c4ccc(cc4)F)c5ccc(cc5)F
FormulaC28 H29 F2 N3 O
Name3-[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]-1~{H}-benzimidazol-2-one
ChEMBLCHEMBL1423
DrugBankDB01100
ZINCZINC000004175630
PDB chain8zyq Chain B 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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PDB8zyq Improved higher resolution Cryo-EM structures reveal the binding modes of hERG Channel Inhibitors
Resolution3.18 Å
Binding residue
(original residue number in PDB)		T623 Y652
Binding residue
(residue number reindexed from 1)		T168 Y197
Annotation score1
External links
PDB RCSB:8zyq, PDBe:8zyq, PDBj:8zyq
PDBsum8zyq
PubMed
UniProtQ12809|KCNH2_HUMAN Potassium voltage-gated channel subfamily H member 2 (Gene Name=KCNH2)

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