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Ligand · NA9

NA9 · N-(carboxymethyl)-3-cyclohexyl-D-alanyl-N-({6-[amino(imino)methyl]pyridin-3-yl}methyl)-N~2~-methyl-L-alaninamide

NA9, N-(carboxymethyl)-3-cyclohexyl-D-alanyl-N-({6-[amino(imino)methyl]pyridin-3-yl}methyl)-N~2~-methyl-L-alaninamide (C22 H34 N6 O4, 446.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
NA9
Formula
C22 H34 N6 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

NA9 in 2 structures; the first of them:

  • 2A2X · Orally Active Thrombin Inhibitors in Complex with Thrombin Inh12 · NA9 H501 · binds HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, ILE174, ASP189 and 13 more
  • 2A2X · Orally active thrombin inhibitors in complex with thrombin INH12 · NA9 H501 · 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).

Found with

  • SIN · Succinic acid

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