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Ligand · W11

W11 · 3-{3,5-dimethyl-4-[3-(3-methyl-isoxazol-5-yl)-propoxy]-phenyl}-5-trifluoromethyl-[1,2,4]oxadiazole

W11, 3-{3,5-dimethyl-4-[3-(3-methyl-isoxazol-5-yl)-propoxy]-phenyl}-5-trifluoromethyl-[1,2,4]oxadiazole (C18 H18 F3 N3 O3, 381.4 g/mol), in the MolNFT structures on GenesisL1: bound in 16 records (9 PDB entries). Every binding site with…

Component
W11
Formula
C18 H18 F3 N3 O3
Class
ligand
Structures
16
PDB entries
9

Binding sites

W11 in 16 structures; the first of them:

  • 1C8M · Refined crystal structure of human rhinovirus 16 complexed with VP63843 (pleconaril), an… · W11 17001 · binds ILE77, TRP96, ILE98, LEU100, PHE118, SER120, ILE122, MET124 and 16 more
  • 1NA1 · The structure of HRV14 when complexed with Pleconaril · W11 A7001 · binds TRP102, ILE104, ASN105, LEU106, TYR128, ILE130, ALA150, MET151 and 13 more
  • 1NCQ · The structure of HRV14 when complexed with pleconaril, an antiviral compound · W11 A7001 · binds TRP102, ILE104, ASN105, LEU106, TYR128, ILE130, ALA150, MET151 and 13 more
  • 1NCR · The structure of Rhinovirus 16 when complexed with pleconaril, an antiviral compound · W11 A7001 · binds ILE77, ILE98, LEU100, ILE122, MET124, TYR142, MET143, TYR144 and 14 more
  • 1ND3 · The structure of HRV16, when complexed with pleconaril, an antiviral compound · W11 A7001 · binds ILE77, ILE98, LEU100, ILE122, MET124, TYR142, MET143, TYR144 and 13 more
  • 4WM7 · Crystal Structure of Human Enterovirus D68 in Complex with Pleconaril · W11 A301 · binds VAL69, TRP93, ILE95, THR97, PHE115, ILE119, ILE121, ALA145 and 14 more
  • 7OZK · CryoEM structure of human enterovirus 70 in complex with Pleconaril · W11 A400 · binds TRP98, LEU100, THR102, MET112, PHE120, THR122, ILE124, ILE126 and 17 more
  • 7TAG · Cryo-EM structure of Human Enterovirus D68 US/MO/14-18947 strain virion in complex with… · W11 A301 · binds TRP93, ILE95, THR97, PHE115, ALA117, ILE119, ILE121, ALA145 and 13 more
  • 8AYY · Poliovirus type 3 (strain Saukett) stabilised virus-like particle (PV3 SC8) in complex… · W11 A401 · binds ILE108, TYR110, PHE128, MET130, LEU132, PHE134, ILE155, MET156 and 12 more
  • 1C8M · Refined crystal structure of human rhinovirus 16 complexed with VP63843 (pleconaril), an… · W11 17001 · binds ILE77, TRP96, ILE98, LEU100, PHE118, SER120, ILE122, MET124 and 16 more
  • 1NA1 · The structure of HRV14 when complexed with pleconaril · W11 A7001 · binds TRP102, ILE104, ASN105, LEU106, TYR128, ILE130, ALA150, MET151 and 13 more
  • 1NCQ · The structure of HRV14 when complexed with pleconaril, an antiviral compound · W11 A7001 · binds TRP102, ILE104, ASN105, LEU106, TYR128, ILE130, ALA150, MET151 and 13 more
  • 1NCR · The structure of rhinovirus 16 when complexed with pleconaril, an antiviral compound · W11 A7001 · binds ILE77, ILE98, LEU100, ILE122, MET124, TYR142, MET143, TYR144 and 14 more
  • 1ND3 · The structure of HRV16, when complexed with pleconaril, an antiviral compound · W11 A7001 · binds ILE77, ILE98, LEU100, ILE122, MET124, TYR142, MET143, TYR144 and 13 more
  • 4WM7 · Crystal structure of human enterovirus D68 in complex with pleconaril · W11 A301 · binds VAL69, TRP93, ILE95, THR97, PHE115, ILE119, ILE121, ALA145 and 14 more
  • 7OZK · Cryoem structure of human enterovirus 70 in complex with pleconaril · W11 A400 · binds TRP98, LEU100, THR102, MET112, PHE120, THR122, ILE124, ILE126 and 17 more

Residues it binds most

MET 16, ILE 16, LEU 16, TYR 16, VAL 16, ALA 16, PHE 16, SER 16, ASN 12, TRP 11 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • MYR · Myristic acid
  • GSH · Glutathione

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