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Ligand · IN2

IN2 · N,N-dimethylcarbamoyl-alpha-azalysine

IN2, N,N-dimethylcarbamoyl-alpha-azalysine (C8 H18 N4 O3, 218.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands…

Component
IN2
Formula
C8 H18 N4 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

IN2 in 2 structures; the first of them:

  • 1UMA · Alpha-thrombin (hirugen) complexed with na-(N,N-dimethylcarbamoyl)-alpha-azalysine · IN2 H500 · binds HIS57, TYR60A, TRP60D, LYS60F, GLU97A, ASN98, LEU99, ILE174 and 2 more
  • 1UMA · Alpha-thrombin (hirugen) complexed with na-(N,N-dimethylcarbamoyl)- alpha-azalysine · IN2 H500 · binds HIS57, TYR60A, TRP60D, LYS60F, GLU97A, ASN98, LEU99, ILE174 and 2 more

Residues it binds most

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

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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