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Ligand · 0NW

0NW · 3-[(2S)-3-[4-(2-aminoethyl)piperidin-1-yl]-2-{[(2',4'-dichlorobiphenyl-3-yl)sulfonyl]amino}-3-oxopropyl]benzenecarboximidamide

0NW, 3-[(2S)-3-[4-(2-aminoethyl)piperidin-1-yl]-2-{[(2',4'-dichlorobiphenyl-3-yl)sulfonyl]amino}-3-oxopropyl]benzenecarboximidamide (C29 H33 Cl2 N5 O3 S, 602.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
0NW
Formula
C29 H33 Cl2 N5 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

0NW in 2 structures; the first of them:

  • 4E7R · Thrombin in complex with 3-amidinophenylalanine inhibitor · 0NW H302 · binds HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, ILE174, ASP189 and 13 more
  • 4E7R · Thrombin in complex with 3-amidinophenylalanine inhibitor · 0NW H302 · binds HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, ILE174, ASP189 and 13 more

Residues it binds most

GLU 4, GLY 4, CYS 4, SER 4, TRP 4, ALA 4, ASN 4, ASP 4, HIS 4, ILE 4 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • PO4 · Phosphate ion
  • GOL · Glycerol

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