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Receptor Information

>5t6s Chain D (length=171) Species: 1332244 (Influenza A virus (A/Shanghai/02/2013(H7N9))) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

GLFGAIAGFIENGWEGLIDGWYGFRHQNAQGEGTAADYKSTQSAIDQITG
KLNRLIEKTNQQFELIDNEFNEVEKQIGNVINWTRDSITEVWSYNAELLV
AMENQHTIDLADSEMDKLYERVKRQLRENAEEDGTGCFEIFHKCDDDCMA
SIRNNTYDHSKYREEAMQNRI

Ligand ID

75U

InChI

InChI=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

InChIKey

KCFYEAOKVJSACF-UHFFFAOYSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.7.6	CCOC(=O)c1c(n(c2c1c(c(c(c2)Br)O)CN(C)C)C)CSc3ccccc3
ACDLabs 12.01	c1(CN(C)C)c(O)c(cc2c1c(C(OCC)=O)c(n2C)CSc3ccccc3)Br
CACTVS 3.385	CCOC(=O)c1c(CSc2ccccc2)n(C)c3cc(Br)c(O)c(CN(C)C)c13

Formula

C22 H25 Br N2 O3 S

Name

ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate;
Arbidol;
Umifenovir

PDB chain

5t6s Chain F Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	5t6s Structural basis of influenza virus fusion inhibition by the antiviral drug Arbidol.
Resolution	2.36 Å
Binding residue (original residue number in PDB)	Y94 A101
Binding residue (residue number reindexed from 1)	Y94 A101
Annotation score	1

Enzyme Commision number

	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

PDB	RCSB:5t6s, PDBe:5t6s, PDBj:5t6s
PDBsum	5t6s
PubMed	28003465
UniProt	R4NN21

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Structure of PDB 5t6s Chain D Binding Site BS02