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Ligand · IGN

IGN · {[(1R)-2-((2S)-2-{[(3-{[amino(imino)methyl]amino}propyl)amino]carbonyl}piperidinyl)-1-(cyclohexylmethyl)-2-oxoethyl]amino}acetic acid

IGN, {[(1R)-2-((2S)-2-{[(3-{[amino(imino)methyl]amino}propyl)amino]carbonyl}piperidinyl)-1-(cyclohexylmethyl)-2-oxoethyl]amino}acetic acid (C21 H38 N6 O4, 438.6 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB…

Component
IGN
Formula
C21 H38 N6 O4
Class
ligand
Structures
4
PDB entries
2

Binding sites

IGN in 4 structures; the first of them:

  • 1K1O · Bovine trypsin-inhibitor complex · IGN A999 · binds HIS57, ASN97, THR98, LEU99, GLN175, ASP189, SER190, CYS191 and 11 more
  • 1K21 · Human thrombin-inhibitor complex · IGN H999 · binds HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, ILE174, ASP189 and 12 more
  • 1K1O · Bovine trypsin-inhibitor complex · IGN A999 · binds HIS57, ASN97, THR98, LEU99, GLN175, ASP189, SER190, CYS191 and 11 more
  • 1K21 · Human thrombin-inhibitor complex · IGN H999 · binds HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, ILE174, ASP189 and 12 more

Residues it binds most

GLY 4, SER 4, CYS 4, GLU 2, TRP 4, ASN 4, ASP 4, GLN 2, HIS 4, LEU 4 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • NA · Sodium ion
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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