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Ligand · 83J

83J · 1-[4-(benzenecarbonyl)piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione

83J, 1-[4-(benzenecarbonyl)piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione (C24 H23 N7 O4, 473.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
83J
Formula
C24 H23 N7 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

83J in 2 structures; the first of them:

  • 5U7O · Crystal Structure of HIV-1 BG505 SOSIP.664 Prefusion Env Trimer Bound to Small Molecule… · 83J G659 · binds ILE108, ILE109, TRP112, ASP113, LEU116, THR202, VAL255, GLU370 and 11 more
  • 5U7O · Crystal structure of HIV-1 BG505 SOSIP.664 prefusion env trimer bound to small molecule… · 83J G659 · binds ILE109, TRP112, ASP113, THR202, VAL255, SER375, PHE376, ILE424 and 6 more

Residues it binds most

ILE 2, MET 2, TRP 2, ALA 2, ASN 2, ASP 2, GLN 2, PHE 2, SER 2, THR 2 (residue and the binding sites it lines).

Found with

  • BMA · beta-D-mannopyranose
  • MAN · alpha-D-mannopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • SO4 · Sulfate ion

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