GL1X · GenesisL1 explorer

Ligand · 85E

85E · {7-[(5M)-5-(1-cyano-3-fluoronaphthalen-2-yl)-1-methyl-1H-pyrazol-4-yl]-4-oxo-3,4-dihydrophthalazin-1-yl}methanaminium

85E, {7-[(5M)-5-(1-cyano-3-fluoronaphthalen-2-yl)-1-methyl-1H-pyrazol-4-yl]-4-oxo-3,4-dihydrophthalazin-1-yl}methanaminium (C24 H18 F N6 O +1, 425.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
85E
Formula
C24 H18 F N6 O +1
Class
ligand
Structures
2
PDB entries
1

Binding sites

85E in 2 structures; the first of them:

  • 7S1R · PRMT5/MEP50 crystal structure with MTA and a phthalazi inhibitor bound (compound (M)-31) · 85E A702 · binds PHE300, TYR304, GLN309, SER310, PRO311, LEU312, PRO314, THR323 and 11 more
  • 7S1R · PRMT5/MEP50 crystal structure with mta and a phthalazinone inhibitor bound (compound… · 85E A702 · binds PHE300, TYR304, GLN309, SER310, PRO311, LEU312, THR323, VAL326 and 10 more

Residues it binds most

LEU 2, PHE 2, GLU 2, SER 2, VAL 2, PRO 2, GLN 2, LYS 2, THR 2, TRP 2 (residue and the binding sites it lines).

Found with

  • MTA · 5'-deoxy-5'-methylthioadenosine

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