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Ligand · CDO

CDO · 2-((R)-1-((S)-2-(N-(6-carbamimidoylpyridin-3-yl)methylcarbamoyl)-2H-pyrrol-1(5H)-yl)-3-cyclohexyl-1-oxopropan-2-ylamino)acetic acid

CDO, 2-((R)-1-((S)-2-(N-(6-carbamimidoylpyridin-3-yl)methylcarbamoyl)-2H-pyrrol-1(5H)-yl)-3-cyclohexyl-1-oxopropan-2-ylamino)acetic acid (C23 H32 N6 O4, 456.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
CDO
Formula
C23 H32 N6 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

CDO in 2 structures; the first of them:

  • 2ANM · Ternary complex of an orally active thrombin inhibitor with human thrombin and a… · CDO H1001 · binds HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, ILE174, ASP189 and 13 more
  • 2ANM · Ternary complex of an orally active thrombin inhibitor with human thrombin and a… · CDO H1001 · binds HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, ILE174, ASP189 and 13 more

Residues it binds most

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

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