Structure of PDB 5t6n Chain F Binding Site BS01

Receptor Information
>5t6n Chain F (length=171) Species: 384505 (Influenza A virus (A/nt/60/1968(H3N2))) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GLFGAIAGFIENGWEGMIDGWYGFRHQNSEGTGQAADLKSTQAAIDQING
KLNRVIEKTNEKFHQIEKEFSEVEGRIQDLEKYVEDTKIDLWSYNAELLV
ALENQHTIDLTDSEMNKLFEKTGRQLRENAEDMGNGCFKIYHKCDNACIE
SIRNGTYDHDVYRDEALNNRF
Ligand information
Ligand ID75U
InChIInChI=1S/C22H25BrN2O3S/c1-5-28-22(27)20-18(13-29-14-9-7-6-8-10-14)25(4)17-11-16(23)21(26)15(19(17)20)12-24(2)3/h6-11,26H,5,12-13H2,1-4H3
InChIKeyKCFYEAOKVJSACF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCOC(=O)c1c(n(c2c1c(c(c(c2)Br)O)CN(C)C)C)CSc3ccccc3
ACDLabs 12.01c1(CN(C)C)c(O)c(cc2c1c(C(OCC)=O)c(n2C)CSc3ccccc3)Br
CACTVS 3.385CCOC(=O)c1c(CSc2ccccc2)n(C)c3cc(Br)c(O)c(CN(C)C)c13
FormulaC22 H25 Br N2 O3 S
Nameethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate;
Arbidol;
Umifenovir
ChEMBLCHEMBL1214598
DrugBankDB13609
ZINCZINC000019907652
PDB chain5t6n Chain D Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5t6n Structural basis of influenza virus fusion inhibition by the antiviral drug Arbidol.
Resolution2.541 Å
Binding residue
(original residue number in PDB)		Y94 E97
Binding residue
(residue number reindexed from 1)		Y94 E97
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046789 host cell surface receptor binding
Biological Process
GO:0019064 fusion of virus membrane with host plasma membrane
Cellular Component
GO:0019031 viral envelope

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5t6n, PDBe:5t6n, PDBj:5t6n
PDBsum5t6n
PubMed28003465
UniProtP03436|HEMA_I68A6 Hemagglutinin (Gene Name=HA)

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