GL1X · GenesisL1 explorer

Ligand · EXJ

EXJ · (3R)-3-(3-chlorophenyl)-3-[(5-methyl-7-oxo-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl) amino]propanenitrile

EXJ, (3R)-3-(3-chlorophenyl)-3-[(5-methyl-7-oxo-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl) amino]propanenitrile (C15 H13 Cl N6 O, 328.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding…

Component
EXJ
Formula
C15 H13 Cl N6 O
Class
ligand
Structures
2
PDB entries
2

Binding sites

EXJ in 2 structures; the first of them:

  • 6CCK · Crystal structure of E.COLI phosphopantetheine adenylyltransferase (PPAT/COAD) in complex… · EXJ A201 · binds PRO8, GLY9, THR10, ALA37, ALA38, SER39, PHE70, SER71 and 6 more
  • 6CHL · Phosphopantetheine adenylyltransferase (coad) in complex with (R)-3… · EXJ A201 · binds PRO8, GLY9, THR10, ALA37, ALA38, SER39, PHE70, SER71 and 6 more

Residues it binds most

ALA 4, LEU 4, MET 4, SER 4, PRO 4, ASN 4, ASP 4, GLY 4, PHE 4, THR 4 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • ATP · Adenosine-5'-triphosphate
  • MG · Magnesium ion
  • DMS · Dimethyl sulfoxide

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