GL1X · GenesisL1 explorer

Ligand · M4U

M4U · (5P)-2-[(3,5-dimethoxyphenyl)methyl]-7-[(2-methyl-1H-imidazol-1-yl)methyl]-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-3,4-dihydroisoquinolin-1(2H)-one

M4U, (5P)-2-[(3,5-dimethoxyphenyl)methyl]-7-[(2-methyl-1H-imidazol-1-yl)methyl]-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-3,4-dihydroisoquinolin-1(2H)-one (C28 H28 F3 N5 O3, 539.6 g/mol), in the MolNFT structures on GenesisL1: bound…

Component
M4U
Formula
C28 H28 F3 N5 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

M4U in 2 structures; the first of them:

  • 7U9Y · WDR5 bound to 2-(3,5-dimethoxybenzyl)-7-((2-methyl-1H-imidazol-1-yl)methyl)-5-(1-methyl-3… · M4U A402 · binds ALA47, VAL48, SER49, ALA65, GLY89, ILE90, SER91, ASP92 and 14 more
  • 7U9Y · WDR5 bound to 2-(3,5-dimethoxybenzyl)-7-((2-methyl-1H-imidazol-1-yl)… · M4U A402 · binds ALA47, VAL48, SER49, ALA65, GLY89, ILE90, SER91, ASP92 and 14 more

Residues it binds most

PHE 2, ILE 2, SER 2, ALA 2, ASP 2, TYR 2, VAL 2, CYS 2, GLY 2, LEU 2 (residue and the binding sites it lines).

Found with

  • BEN · Benzamidine

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