GL1X · GenesisL1 explorer

Ligand · 3XV

3XV · N-[(2S)-3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide

3XV, N-[(2S)-3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide (C20 H25 N5 O3, 383.4 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with…

Component
3XV
Formula
C20 H25 N5 O3
Class
ligand
Structures
6
PDB entries
3

Binding sites

3XV in 6 structures; the first of them:

  • 4X60 · Crystal structure of PRMT5:MEP50 with EPZ015666 and sinefungin · 3XV A702 · binds PHE300, TYR304, GLN309, LEU312, LEU319, THR323, TYR324, VAL326 and 13 more
  • 4X61 · Crystal structure of PRMT5:MEP50 with EPZ015666 and SAM · 3XV A702 · binds PHE300, TYR304, GLN309, LEU319, THR323, TYR324, VAL326, PHE327 and 11 more
  • 4X63 · Crystal structure of PRMT5:MEP50 with EPZ015666 and SAH · 3XV A702 · binds PHE300, TYR304, GLN309, LEU312, LEU319, TYR324, VAL326, PHE327 and 11 more
  • 4X60 · Crystal structure of PRMT5:MEP50 with EPZ015666 and sinefungin · 3XV A702 · binds PHE300, TYR304, GLN309, LEU312, LEU319, THR323, TYR324, VAL326 and 13 more
  • 4X61 · Crystal structure of PRMT5:MEP50 with EPZ015666 and SAM · 3XV A702 · binds PHE300, TYR304, GLN309, LEU319, THR323, TYR324, VAL326, PHE327 and 11 more
  • 4X63 · Crystal structure of PRMT5:MEP50 with EPZ015666 and sah · 3XV A702 · binds PHE300, TYR304, GLN309, LEU312, LEU319, TYR324, VAL326, PHE327 and 11 more

Residues it binds most

PHE 6, LEU 6, TYR 6, GLU 6, SER 6, VAL 6, GLN 6, GLY 6, LYS 6, TRP 6 (residue and the binding sites it lines).

Found with

  • GOL · Glycerol
  • SAH · S-adenosyl-L-homocysteine
  • SAM · S-adenosylmethionine
  • SFG · Sinefungin

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