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Ligand · TSW

TSW · 2-[4-oxidanylidene-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-~{N}-(1,3-thiazol-2-yl)ethanamide

TSW, 2-[4-oxidanylidene-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-~{N}-(1,3-thiazol-2-yl)ethanamide (C19 H16 N6 O2 S2, 424.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
TSW
Formula
C19 H16 N6 O2 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

TSW in 2 structures; the first of them:

  • 8A9I · PI3KC2a core in complex with PITCOIN1 · TSW A1101 · binds PHE730, SER732, LYS738, ASN752, MET754, PHE790, GLU803, LEU804 and 6 more
  • 8A9I · PI3KC2A core in complex with PITCOIN1 · TSW A1101 · binds PHE730, SER732, LYS738, ASN752, MET754, PHE790, GLU803, LEU804 and 6 more

Residues it binds most

MET 2, PHE 2, SER 2, ASN 2, GLU 2, ILE 2, LEU 2, LYS 2, PRO 2, THR 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol

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