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Ligand · ZWE

ZWE · N-(2-aminopyrimidin-5-yl)-N'-[(1R)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethyl]urea

ZWE, N-(2-aminopyrimidin-5-yl)-N'-[(1R)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethyl]urea (C16 H12 F5 N5 O2, 401.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site…

Component
ZWE
Formula
C16 H12 F5 N5 O2
Class
ligand
Structures
2
PDB entries
2

Binding sites

ZWE in 2 structures; the first of them:

  • 8TDU · STX-478, a Mutant-Selective, Allosteric Inhibitor bound to PI3Kalpha · ZWE A1102 · binds GLN809, LEU812, THR813, ILE910, LEU911, GLY912, PHE937, LEU938 and 12 more
  • 8TGD · STX-478, a Mutant-Selective, Allosteric Inhibitor bound to H1047R PI3Kalpha · ZWE A1512 · binds GLN809, LEU812, THR813, ILE910, LEU911, GLY912, PHE937, LEU938 and 13 more

Residues it binds most

LEU 4, ILE 4, GLU 4, PHE 4, ASP 4, GLN 4, GLY 4, HIS 4, LYS 4, THR 4 (residue and the binding sites it lines).

Found with

  • X3N · N~2~-{(4S,11aP)-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-alaninamide
  • EDO · 1,2-ethanediol

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