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Ligand · W71

W71 · 5-(7-(4-(4,5-dihydro-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole

W71, 5-(7-(4-(4,5-dihydro-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole (C20 H26 N2 O3, 342.4 g/mol), in the MolNFT structures on GenesisL1: bound in 12 records (6 PDB entries). Every binding site with its residues within 4.5 Å, the…

Component
W71
Formula
C20 H26 N2 O3
Class
ligand
Structures
12
PDB entries
6

Binding sites

W71 in 12 structures; the first of them:

  • 1D4M · The crystal structure of coxsackievirus A9 to 2.9 a resolution · W71 1501 · binds ILE95, THR97, PHE115, MET117, VAL119, PHE121, ILE144, TYR146 and 13 more
  • 1PIV · Binding of the antiviral drug WIN51711 to the sabin strain of type 3 poliovirus… · W71 1303 · binds ILE110, TYR112, PHE130, MET132, PHE134, PHE136, ILE157, TYR159 and 12 more
  • 2R04 · Structural analysis of antiviral agents that interact with the capsid of human… · W71 1900 · binds ILE104, LEU106, TYR128, ALA150, TYR152, PRO174, SER175, VAL176 and 10 more
  • 3ZFF · Human enterovirus 71 in complex with capsid binding inhibitor WIN51711 · W71 A900 · binds ILE111, ASP112, ILE113, THR114, PHE135, PHE137, MET154, PHE155 and 12 more
  • 3ZFG · Human enterovirus 71 in complex with capsid binding inhibitor WIN51711 · W71 A900 · binds ILE111, ASP112, ILE113, THR114, PHE135, PHE137, MET154, PHE155 and 12 more
  • 7OZL · CryoEM structure of human enterovirus 70 in complex with WIN51711 · W71 A401 · binds TRP98, LEU100, THR102, PHE120, THR122, ILE124, ALA150, MET151 and 15 more
  • 1D4M · The crystal structure of coxsackievirus A9 to 2.9 a resolution · W71 1501 · binds ILE95, THR97, PHE115, MET117, VAL119, PHE121, ILE144, TYR146 and 13 more
  • 1PIV · Binding of the antiviral drug WIN51711 to the sabin strain of type 3 poliovirus… · W71 1303 · binds ILE110, TYR112, PHE130, MET132, PHE134, PHE136, ILE157, TYR159 and 12 more
  • 2R04 · Structural analysis of antiviral agents that interact with the capsid of human… · W71 1900 · binds ILE104, LEU106, TYR128, ALA150, TYR152, PRO174, SER175, VAL176 and 10 more
  • 3ZFF · Human enterovirus 71 in complex with capsid binding inhibitor WIN51711 · W71 A900 · binds ILE111, ASP112, ILE113, THR114, PHE135, PHE137, MET154, PHE155 and 12 more
  • 3ZFG · Human enterovirus 71 in complex with capsid binding inhibitor WIN51711 · W71 A900 · binds ILE111, ASP112, ILE113, THR114, PHE135, PHE137, MET154, PHE155 and 12 more
  • 7OZL · Cryoem structure of human enterovirus 70 in complex with WIN51711 · W71 A401 · binds TRP98, LEU100, THR102, THR122, ILE124, ALA150, TYR152, PRO174 and 10 more

Residues it binds most

ILE 14, PHE 11, TYR 14, VAL 12, ASN 12, MET 12, ALA 14, LEU 10, THR 10, PRO 12 (residue and the binding sites it lines).

Found with

  • MYR · Myristic acid

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