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Ligand · J80

J80 · (methylpyridazine piperidine butyloxyphenyl)ethylacetate

J80, (methylpyridazine piperidine butyloxyphenyl)ethylacetate (C23 H31 N3 O3, 397.5 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
J80
Formula
C23 H31 N3 O3
Class
ligand
Structures
4
PDB entries
2

Binding sites

J80 in 4 structures; the first of them:

  • 1PO1 · Poliovirus (type 1, mahoney) in complex with R80633, an inhibitor of viral replication · J80 10 · binds ILE110, THR111, TYR112, LYS113, PHE130, MET132, LEU134, PHE136 and 15 more
  • 1VBB · Poliovirus (type 3, sabin strain) (P3/SABIN, P3/LEON/12A(1)B) complexed with R80633 · J80 1500 · binds ILE110, THR111, TYR112, LYS113, PHE134, PHE136, ILE157, TYR159 and 12 more
  • 1PO1 · Poliovirus (type 1, mahoney) in complex with R80633, an inhibitor of viral replication · J80 10 · binds ILE110, THR111, TYR112, LYS113, PHE130, MET132, LEU134, PHE136 and 15 more
  • 1VBB · Poliovirus (type 3, sabin strain) (P3/SABIN, P3/LEON/12A(1) B) complexed with R80633 · J80 1500 · binds ILE110, THR111, TYR112, LYS113, PHE134, PHE136, ILE157, TYR159 and 12 more

Residues it binds most

ILE 4, PHE 4, TYR 4, LEU 4, VAL 4, SER 4, ALA 4, ASP 4, LYS 4, PRO 4 (residue and the binding sites it lines).

Found with

  • MYR · Myristic acid

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