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Ligand · 8WW

8WW · 6-(2-phenylethylsulfanyl)-7~{H}-purin-2-amine

8WW, 6-(2-phenylethylsulfanyl)-7~{H}-purin-2-amine (C13 H13 N5 S, 271.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most and the…

Component
8WW
Formula
C13 H13 N5 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

8WW in 2 structures; the first of them:

  • 5NGS · Crystal structure of human MTH1 in complex with inhibitor… · 8WW A201 · binds TYR7, THR8, LEU9, LYS23, PHE27, ASN33, GLY36, GLY37 and 8 more
  • 5NGS · Crystal structure of human MTH1 in complex with inhibitor 6-[(2… · 8WW A201 · binds TYR7, THR8, LEU9, PHE27, ASN33, GLY36, GLY37, PHE72 and 5 more

Residues it binds most

PHE 4, ASP 4, GLY 4, TRP 4, ASN 4, LEU 4, MET 4, THR 4, TYR 4, LYS 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • ACT · Acetate ion

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