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Ligand · NW5

NW5 · 2-[2-[[3-[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-5-yl]-5-(2-cyanopropan-2-yl) phenyl]methoxy]phenyl]ethanoic acid

NW5, 2-[2-[[3-[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-5-yl]-5-(2-cyanopropan-2-yl) phenyl]methoxy]phenyl]ethanoic acid (C27 H26 N2 O4, 442.5 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding…

Component
NW5
Formula
C27 H26 N2 O4
Class
ligand
Structures
1
PDB entries
1

Binding sites

NW5 in 1 structure; the first of them:

  • 6TS6 · Coagulation factor XI protease domain in complex with active site inhibitor · NW5 A307 · binds LEU39, CYS40, HIS57, LEU146, ASP189, ALA190, CYS191, LYS192 and 9 more

Residues it binds most

GLY 1, CYS 1, ASP 1, LEU 1, ALA 1, HIS 1, LYS 1, SER 1, THR 1, TRP 1 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide

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