Structure of PDB 6vmz Chain A Binding Site BS01

Receptor Information
>6vmz Chain A (length=320) Species: 380835 (Influenza A virus (A/chicken/Vietnam/4/2003(H5N1))) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GDQICIGYHANNSTEQVDTIMEKNVTVTHAQDILEKKHNGKLCDLDGVKP
LILRDCSVAGWLLGNPMCDEFINVPEWSYIVEKANPVNDLCYPGDFNDYE
ELKHLLSRINHFEKIQIIPKSSWSSHEASLGVSSACPYQGKSSFFRNVVW
LIKKNSTYPTIKRSYNNTNQEDLLVLWGIHHPNDAAEQTKLYQNPTTYIS
VGTSTLNQRLVPRIATRSKVNGQSGRMEFFWTILKPNDAINFESNGNFIA
PEYAYKIVKKGDSTIMKSELEYGNCNTKCQTPMGAINSSMPFHNIHPLTI
GECPKYVKSNRLVLATGLRN
Ligand information
Ligand IDR3P
InChIInChI=1S/C15H20Cl2N2O/c1-10(2)19-8-6-11(7-9-19)18-15(20)14-12(16)4-3-5-13(14)17/h3-5,10-11H,6-9H2,1-2H3,(H,18,20)
InChIKeyOUZZSIOQTSNTTI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01Clc1c(c(ccc1)Cl)C(NC2CCN(CC2)C(C)C)=O
OpenEye OEToolkits 2.0.7CC(C)N1CCC(CC1)NC(=O)c2c(cccc2Cl)Cl
CACTVS 3.385CC(C)N1CCC(CC1)NC(=O)c2c(Cl)cccc2Cl
FormulaC15 H20 Cl2 N2 O
Name2,6-dichloro-N-[1-(propan-2-yl)piperidin-4-yl]benzamide
ChEMBLCHEMBL4438419
DrugBank
ZINCZINC000012382527
PDB chain6vmz Chain A Residue 404 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6vmz Structure of avian influenza hemagglutinin in complex with a small molecule entry inhibitor.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		H38 Q40 T325
Binding residue
(residue number reindexed from 1)		H29 Q31 T316
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:6vmz, PDBe:6vmz, PDBj:6vmz
PDBsum6vmz
PubMed32611549
UniProtQ1KHJ8

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