GL1X · GenesisL1 explorer

Ligand · JE6

JE6 · ~{N}-[4-[(3~{S})-3-cyano-3-cyclopropyl-2-oxidanylidene-pyrrolidin-1-yl]-6-methyl-pyridin-2-yl]-2-phenyl-ethanamide

JE6, ~{N}-[4-[(3~{S})-3-cyano-3-cyclopropyl-2-oxidanylidene-pyrrolidin-1-yl]-6-methyl-pyridin-2-yl]-2-phenyl-ethanamide (C22 H22 N4 O2, 374.4 g/mol), in the MolNFT structures on GenesisL1: bound in 10 records (7 PDB entries). Every binding…

Component
JE6
Formula
C22 H22 N4 O2
Class
ligand
Structures
10
PDB entries
7

Binding sites

JE6 in 10 structures; the first of them:

  • 7EVU · Co-crystal Structure of Toxoplasma gondii Prolyl tRNA Synthetase (TgPRS) in complex with… · JE6 A902 · binds ARG470, GLU472, LYS474, GLN475, PHE479, LEU480, ARG481, THR482 and 9 more
  • 7EVV · Co-crystal Structure of Toxoplasma gondii Prolyl tRNA Synthetase (TgPRS) in complex with… · JE6 A901 · binds ARG470, GLU472, LYS474, GLN475, PHE479, LEU480, ARG481, THR482 and 10 more
  • 7F9P · Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in Complex with inhibitor L95 and… · JE6 A901 · binds ARG470, GLU472, LYS474, GLN475, PRO476, PHE479, LEU480, ARG481 and 11 more
  • 7F9R · Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in Complex with inhibitor L95, L-Proline… · JE6 A901 · binds ARG470, GLU472, LYS474, GLN475, PRO476, PHE479, LEU480, ARG481 and 12 more
  • 7VC1 · Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in Complex with inhibitor L95 and… · JE6 A901 · binds ARG470, GLU472, LYS474, GLN475, PRO476, PHE479, LEU480, ARG481 and 12 more
  • 7X1O · Homo sapiens Prolyl-tRNA Synthetase (HsPRS) in Complex with double inhibitors HF and L95 · JE6 A1902 · binds ARG1152, GLU1154, LYS1156, HIS1157, PRO1158, PHE1161, LEU1162, ARG1163 and 12 more
  • 8JE7 · Crystal Structure of Anopheles culicifacies Prolyl-tRNA Synthetase (AcPRS) in complex… · JE6 A1802 · binds ARG1359, GLU1361, LYS1363, HIS1364, PRO1365, PHE1368, LEU1369, ARG1370 and 13 more
  • 7EVU · Co-crystal structure of toxoplasma gondii prolyl tRNA synthetase (tgprs) in complex with… · JE6 A902 · binds ARG470, GLU472, LYS474, GLN475, PHE479, LEU480, ARG481, THR482 and 9 more
  • 7EVV · Co-crystal structure of toxoplasma gondii prolyl tRNA synthetase (tgprs) in complex with… · JE6 A901 · binds ARG470, GLU472, LYS474, GLN475, PHE479, LEU480, ARG481, THR482 and 10 more
  • 7F9R · Toxoplasma gondii prolyl-tRNA synthetase (tgprs) in complex with inhibitor L95, L-proline… · JE6 A901 · binds ARG470, GLU472, LYS474, GLN475, PRO476, PHE479, LEU480, ARG481 and 12 more

Residues it binds most

ARG 14, THR 14, PHE 14, GLN 14, ALA 12, GLY 14, LEU 14, GLU 14, LYS 14, PRO 12 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • HFG · 7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one
  • EDO · 1,2-ethanediol
  • GOL · Glycerol
  • MES · 2-(N-morpholino)-ethanesulfonic acid
  • 9SF · 3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one
  • PRO · Proline
  • ZN · Zinc ion
  • BR · Bromide ion
  • MPD · (4S)-2-methyl-2,4-pentanediol
  • CA · Calcium ion

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.