GL1X · GenesisL1 explorer

Ligand · EJR

EJR · N-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

EJR, N-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (C20 H17 F N6 O, 376.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every…

Component
EJR
Formula
C20 H17 F N6 O
Class
ligand
Structures
4
PDB entries
2

Binding sites

EJR in 4 structures; the first of them:

  • 6YVJ · EED in complex with a triazolopyrimidine · EJR B502 · binds PHE97, ASN146, TYR148, ASN194, LYS211, LEU240, ASP310, TYR365 and 3 more
  • 7QK4 · EED in complex with PRC2 allosteric inhibitor compound 22 (MAK683) · EJR A504 · binds PHE97, ASN146, TYR148, ASN194, LYS211, LEU240, ASP310, TYR365 and 3 more
  • 6YVJ · Eed in complex with a triazolopyrimidine · EJR B502 · binds PHE97, TYR148, ASN194, LYS211, LEU240, ASP310, TYR365, MET366 and 2 more
  • 7QK4 · Eed in complex with PRC2 allosteric inhibitor compound 22 (MAK683) · EJR A504 · binds PHE97, ASN146, TYR148, ASN194, LYS211, LEU240, ASP310, TYR365 and 3 more

Residues it binds most

ARG 4, TYR 4, ASN 4, ASP 4, LEU 4, LYS 4, MET 4, PHE 4 (residue and the binding sites it lines).

Found with

  • L9W · N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
  • CL · Chloride ion
  • GOL · Glycerol

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