GL1X · GenesisL1 explorer

Ligand · NXF

NXF · (2M)-2-[(4M)-4-{4-(aminomethyl)-1-oxo-8-[(2R)-oxolan-2-yl]-1,2-dihydrophthalazin-6-yl}-1-methyl-1H-pyrazol-5-yl]-1-benzothiophene-3-carbonitrile

NXF, (2M)-2-[(4M)-4-{4-(aminomethyl)-1-oxo-8-[(2R)-oxolan-2-yl]-1,2-dihydrophthalazin-6-yl}-1-methyl-1H-pyrazol-5-yl]-1-benzothiophene-3-carbonitrile (C26 H22 N6 O2 S, 482.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records…

Component
NXF
Formula
C26 H22 N6 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

NXF in 2 structures; the first of them:

  • 7UOH · PRMT5/MEP50 crystal structure with MTA and an achiral, class 1, non-atropisomeric… · NXF A801 · binds PHE300, TYR304, GLN309, SER310, PRO311, LEU312, PRO314, VAL326 and 12 more
  • 7UOH · PRMT5/MEP50 crystal structure with mta and an achiral, class 1, non- atropisomeric… · NXF A801 · binds PHE300, TYR304, GLN309, SER310, PRO311, LEU312, PRO314, VAL326 and 12 more

Residues it binds most

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

Found with

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

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