Structure of PDB 2ly0 Chain A Binding Site BS01

Receptor Information
>2ly0 Chain A (length=31) Species: 221020 (Influenza A virus (A/Chiba/5/71(H3N2))) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SNDSSDPLVVAANIIGILHLILWILDRLFFK
Ligand information
Ligand IDA2Y
InChIInChI=1S/C18H22N2OS/c1-2-17(22-3-1)16-7-15(20-21-16)11-19-18-8-12-4-13(9-18)6-14(5-12)10-18/h1-3,7,12-14,19H,4-6,8-11H2/p+1/t12-,13+,14-,18-
InChIKeyPBZWFIHUWUZQDJ-WXZYKRPKSA-O
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(sc1)c2cc(no2)C[NH2+]C34CC5CC(C3)CC(C5)C4
ACDLabs 12.01n2oc(c1sccc1)cc2C[NH2+]C45CC3CC(CC(C3)C4)C5
CACTVS 3.370C([NH2+]C12CC3CC(CC(C3)C1)C2)c4cc(on4)c5sccc5
FormulaC18 H23 N2 O S
Name(3S,5S,7S)-N-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methyl}tricyclo[3.3.1.1~3,7~]decan-1-aminium
ChEMBL
DrugBank
ZINC
PDB chain2ly0 Chain A Residue 100 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2ly0 Structure and inhibition of the drug-resistant S31N mutant of the M2 ion channel of influenza A virus.
ResolutionN/A
Binding residue
(original residue number in PDB)		V27 A30
Binding residue
(residue number reindexed from 1)		V9 A12
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=4.80,IC50=16uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015078 proton transmembrane transporter activity
Biological Process
GO:1902600 proton transmembrane transport
Cellular Component
GO:0033644 host cell membrane
GO:0055036 virion membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2ly0, PDBe:2ly0, PDBj:2ly0
PDBsum2ly0
PubMed23302696
UniProtQ6XT21

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