Structure of PDB 8djy Chain A Binding Site BS01

Receptor Information
>8djy Chain A (length=180) Species: 641501 (Influenza A virus (A/California/04/2009(H1N1))) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SAMEDFVRQCFNPMIVELAEKAMKEYGEDPKIETNKFAAICTHLEVCFMY
SDFGKHRFEIIEGRDRIMAWTVVNSICNTTGVEKPKFLPDLYDYKENRFI
EIGVTRREVHIYYLEKANKIKSEKTHIHIFSFTGEEMATKADYTLDEESR
ARIKTRLFTIRQEMASRSLWDSFRQSERGE
Ligand information
Ligand IDU3L
InChIInChI=1S/C8H8BrN3O2/c9-5-3-4(13)7(14)6(12-5)8-10-1-2-11-8/h3,14H,1-2H2,(H,10,11)(H,12,13)
InChIKeyUCBYETGFPVQHHE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01OC1=C(NC(Br)=CC1=O)C1=NCCN1
OpenEye OEToolkits 2.0.7C1CN=C(N1)C2=C(C(=O)C=C(N2)Br)O
CACTVS 3.385OC1=C(NC(=CC1=O)Br)C2=NCCN2
FormulaC8 H8 Br N3 O2
Name(2M)-6-bromo-2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxypyridin-4(1H)-one
ChEMBLCHEMBL5286729
DrugBank
ZINC
PDB chain8djy Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB8djy Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		H41 E80 D108 E119 K134 E198
Binding residue
(residue number reindexed from 1)		H43 E62 D90 E101 K116 E180
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.-.-
Gene Ontology
Biological Process
GO:0039694 viral RNA genome replication

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8djy, PDBe:8djy, PDBj:8djy
PDBsum8djy
PubMed36655124
UniProtC3W5S0

[Back to BioLiP]