GL1X · GenesisL1 explorer

Ligand · 34S

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

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 (C30 H28 N6 O3, 520.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

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

Binding sites

34S in 2 structures; the first of them:

  • 4ELB · Structure-activity relationship guides enantiomeric preference among potent inhibitors of… · 34S A203 · binds MET6, VAL7, ALA8, ASN19, ASN20, LEU21, PRO26, GLU28 and 14 more
  • 4ELB · Structure-activity relationship guides enantiomeric preference among potent inhibitors of… · 34S A203 · binds MET6, VAL7, ALA8, ASN19, ASN20, LEU21, PRO26, GLU28 and 14 more

Residues it binds most

LEU 12, ASN 12, VAL 12, ALA 12, ARG 12, PRO 10, GLU 12, ILE 12, LYS 12, MET 12 (residue and the binding sites it lines).

Found with

  • 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
  • CA · Calcium ion
  • CL · Chloride ion

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