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Ligand · 34R

34R · (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1R)-1-phenylphthalazin-2(1H)-yl]prop-2-en-1-one

34R, (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1R)-1-phenylphthalazin-2(1H)-yl]prop-2-en-1-one (C30 H28 N6 O3, 520.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
34R
Formula
C30 H28 N6 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

34R in 2 structures; the first of them:

  • 4ELB · Structure-activity relationship guides enantiomeric preference among potent inhibitors of… · 34R C203 · binds MET6, VAL7, ALA8, ASN19, ASN20, LEU21, PRO26, GLU28 and 14 more
  • 4ELB · Structure-activity relationship guides enantiomeric preference among potent inhibitors of… · 34R C203 · binds MET6, VAL7, ALA8, ASN19, ASN20, LEU21, PRO26, GLU28 and 14 more

Residues it binds most

ASN 8, LEU 8, PRO 8, VAL 8, ALA 8, ILE 8, GLN 8, GLU 8, LYS 8, MET 8 (residue and the binding sites it lines).

Found with

  • 34S · (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-phenylphthalazin-2(1H)-yl]prop-2-en-1-one
  • CA · Calcium ion
  • CL · Chloride ion

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