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Ligand · 53J

53J · (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1H)-y l]prop-2-en-1-one

53J, (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1H)-y l]prop-2-en-1-one (C28 H30 N6 O3, 498.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
53J
Formula
C28 H30 N6 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

53J in 2 structures; the first of them:

  • 4ELH · Structure-activity relationship guides enantiomeric preference among potent inhibitors of… · 53J D204 · binds MET6, VAL7, ALA8, ASN19, ASN20, LEU21, GLU28, LEU29 and 12 more
  • 4ELH · Structure-activity relationship guides enantiomeric preference among potent inhibitors of… · 53J D204 · binds MET6, VAL7, ALA8, ASN19, ASN20, LEU21, GLU28, LEU29 and 12 more

Residues it binds most

ASN 2, LEU 2, ALA 2, VAL 2, ARG 2, GLN 2, GLU 2, ILE 2, LYS 2, MET 2 (residue and the binding sites it lines).

Found with

  • 53I · (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1R)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1H)-y l]prop-2-en-1-one
  • CA · Calcium ion
  • CL · Chloride ion

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