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Ligand · N12

N12 · N-[(1R)-2-[(1-{[({6-[amino(imino)methyl]pyridin-3-yl}methyl)amino]carbonyl}cyclopentyl)amino]-1-(cyclohexylmethyl)-2-oxoethyl]glycine

N12, N-[(1R)-2-[(1-{[({6-[amino(imino)methyl]pyridin-3-yl}methyl)amino]carbonyl}cyclopentyl)amino]-1-(cyclohexylmethyl)-2-oxoethyl]glycine (C24 H36 N6 O4, 472.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
N12
Formula
C24 H36 N6 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

N12 in 2 structures; the first of them:

  • 2ANK · orally active thrombin inhibitors in complex with thrombin and an exosite decapeptide · N12 H501 · binds HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, ILE174, ASP189 and 13 more
  • 2ANK · Orally active thrombin inhibitors in complex with thrombin and an exosite decapeptide · N12 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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