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Ligand · TJG

TJG · 7-cyclopropyl-N-[trans-4-(2-hydroxypropan-2-yl) cyclohexyl]-1,8-naphthyridine-3-carboxamide

TJG, 7-cyclopropyl-N-[trans-4-(2-hydroxypropan-2-yl) cyclohexyl]-1,8-naphthyridine-3-carboxamide (C21 H27 N3 O2, 353.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
TJG
Formula
C21 H27 N3 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

TJG in 2 structures; the first of them:

  • 6W8H · H-PGDS complexed with inhibitor 1Y · TJG A203 · binds PHE9, MET11, GLY13, ARG14, GLN36, TRP39, ASP96, MET99 and 6 more
  • 6W8H · H-pgds complexed with inhibitor 1Y · TJG A203 · binds PHE9, MET11, GLY13, ARG14, GLN36, TRP39, MET99, TRP104 and 4 more

Residues it binds most

MET 4, TRP 4, ALA 4, ARG 4, GLN 4, GLY 4, LEU 4, PHE 4, TYR 4, CYS 3 (residue and the binding sites it lines).

Found with

  • GSH · Glutathione
  • EDO · 1,2-ethanediol

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