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Ligand · 87C

87C · 3-[2-oxidanylidene-3-[(2R,3R)-3-oxidanylpiperidin-2-yl]propyl]-5,6,7,8-tetrahydroquinazolin-4-one

87C, 3-[2-oxidanylidene-3-[(2R,3R)-3-oxidanylpiperidin-2-yl]propyl]-5,6,7,8-tetrahydroquinazolin-4-one (C16 H23 N3 O3, 305.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
87C
Formula
C16 H23 N3 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

87C in 2 structures; the first of them:

  • 5XIK · Crystal Structure of Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in complex with… · 87C A1004 · binds SER416, GLU418, PRO438, THR439, GLU441, ARG470, TRP487, GLU489 and 7 more
  • 5XIK · Crystal structure of toxoplasma gondii prolyl-tRNA synthetase (tgprs) in complex with… · 87C A1004 · binds SER416, GLU418, PRO438, THR439, GLU441, ARG470, TRP487, GLU489 and 6 more

Residues it binds most

GLU 8, THR 8, TRP 8, HIS 8, SER 8, ARG 8, PHE 8, PRO 8, GLY 6, VAL 1 (residue and the binding sites it lines).

Found with

  • ANP · Phosphoaminophosphonic acid-adenylate ester
  • MG · Magnesium ion
  • CL · Chloride ion

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