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Ligand · 1W2

1W2 · 2-[(3aS,7aR)-2-amino-3a-(2,4-difluorophenyl)-3a,6,7,7a-tetrahydro[1,3]oxazolo[4,5-c]pyridin-5(4H)-yl]pyridine-3-carbonitrile

1W2, 2-[(3aS,7aR)-2-amino-3a-(2,4-difluorophenyl)-3a,6,7,7a-tetrahydro[1,3]oxazolo[4,5-c]pyridin-5(4H)-yl]pyridine-3-carbonitrile (C18 H15 F2 N5 O, 355.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
1W2
Formula
C18 H15 F2 N5 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

1W2 in 2 structures; the first of them:

  • 4L7J · Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of… · 1W2 A501 · binds LEU30, ASP32, GLY34, SER35, VAL69, TYR71, TRP76, PHE108 and 8 more
  • 4L7J · Diethylaminosulfur trifluoride-mediated intramolecular cyclization of… · 1W2 A501 · binds LEU30, ASP32, GLY34, SER35, VAL69, TYR71, TRP76, PHE108 and 8 more

Residues it binds most

ILE 2, ASP 2, GLY 2, TRP 2, TYR 2, LEU 2, PHE 2, SER 2, THR 2, VAL 2 (residue and the binding sites it lines).

Found with

  • ACT · Acetate ion

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