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Ligand · 1UI

1UI · 4-[(3S)-3-cyano-3-cyclopropyl-2-oxidanylidene-pyrrolidin-1-yl]-N-[[3-fluoranyl-5-(5-methoxypyridin-3-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide

1UI, 4-[(3S)-3-cyano-3-cyclopropyl-2-oxidanylidene-pyrrolidin-1-yl]-N-[[3-fluoranyl-5-(5-methoxypyridin-3-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide (C28 H26 F N5 O3, 499.6 g/mol), in the MolNFT structures on GenesisL1: bound in 7…

Component
1UI
Formula
C28 H26 F N5 O3
Class
ligand
Structures
7
PDB entries
5

Binding sites

1UI in 7 structures; the first of them:

  • 7F99 · Homo sapiens Prolyl-tRNA Synthetase (HsPRS) in Complex with L-proline and compound L96 · 1UI A1901 · binds ARG1152, GLU1154, LYS1156, HIS1157, PRO1158, GLN1159, PHE1161, LEU1162 and 13 more
  • 7F9C · Homo sapiens Prolyl-tRNA Synthetase (HsPRS) in Complex with L-proline and compound L96 · 1UI A1901 · binds ARG1152, GLU1154, LYS1156, HIS1157, PRO1158, PHE1161, LEU1162, ARG1163 and 11 more
  • 7F9D · Homo sapiens Prolyl-tRNA Synthetase (HsPRS) in Complex with L-proline and compound L96 · 1UI A1901 · binds ARG1152, GLU1154, LYS1156, HIS1157, PRO1158, PHE1161, LEU1162, ARG1163 and 14 more
  • 7FAK · Co-crystal Structure of Toxoplasma gondii Prolyl tRNA Synthetase (TgPRS) in complex with… · 1UI A901 · binds ARG470, GLU472, LYS474, GLN475, PRO476, PHE479, LEU480, ARG481 and 12 more
  • 7VC2 · Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in Complex with inhibitor L96 and… · 1UI A901 · binds ARG470, GLU472, LYS474, GLN475, PRO476, PHE479, LEU480, ARG481 and 13 more
  • 7F99 · Homo sapiens prolyl-tRNA synthetase (hsprs) in complex with L-proline and compound L96 · 1UI A1901 · binds ARG1152, GLU1154, LYS1156, HIS1157, PRO1158, PHE1161, LEU1162, ARG1163 and 12 more
  • 7F9C · Homo sapiens prolyl-tRNA synthetase (hsprs) in complex with L-proline and compound L96 · 1UI A1901 · binds ARG1152, GLU1154, LYS1156, HIS1157, PRO1158, PHE1161, LEU1162, ARG1163 and 12 more

Residues it binds most

ARG 13, THR 13, GLY 13, PHE 13, LEU 13, GLN 13, PRO 13, LYS 13, GLU 13, TRP 13 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • PRO · Proline
  • CA · Calcium ion
  • ZN · Zinc ion
  • ACT · Acetate ion
  • EDO · 1,2-ethanediol
  • FMT · Formic acid
  • MES · 2-(N-morpholino)-ethanesulfonic acid

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