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Ligand · SWY

SWY · 2-[3-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propyl]benzo[de]isoquinoline-1,3-dione

SWY, 2-[3-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propyl]benzo[de]isoquinoline-1,3-dione (C29 H23 N5 O3 S, 521.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
SWY
Formula
C29 H23 N5 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

SWY in 2 structures; the first of them:

  • 4BFP · Crystal structure of human tankyrase 2 in complex with WIKI4 · SWY A2162 · binds HIS1031, GLY1032, SER1033, PRO1034, PHE1035, ALA1038, ILE1039, LYS1042 and 14 more
  • 4BFP · Crystal structure of human tankyrase 2 in complex with WIKI4 · SWY A2162 · binds HIS1031, GLY1032, SER1033, PRO1034, PHE1035, ALA1038, ILE1039, LYS1042 and 14 more

Residues it binds most

GLY 4, ILE 4, ALA 4, HIS 4, PHE 4, TYR 4, ASP 4, LYS 4, PRO 4, SER 4 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • SO4 · Sulfate ion

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