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Ligand · 2X1

2X1 · 4-({[3-(aminomethyl)phenyl]carbamoyl}amino)benzenecarboximidamide

2X1, 4-({[3-(aminomethyl)phenyl]carbamoyl}amino)benzenecarboximidamide (C15 H17 N5 O, 283.3 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…

Component
2X1
Formula
C15 H17 N5 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

2X1 in 2 structures; the first of them:

  • 4PYQ · Humanized rat apo-COMT in complex with a ureido-benzamidine · 2X1 A301 · binds ILE134, ASN135, PRO136, TRP186, ASP188, ARG189
  • 4PYQ · Humanized rat apo-comt in complex with a ureido-benzamidine · 2X1 A301 · binds ILE134, ASN135, PRO136, TRP186, ASP188, ARG189

Residues it binds most

ASP 4, ARG 4, ASN 4, ILE 4, PRO 4, TRP 4 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • CL · Chloride ion
  • SO4 · Sulfate ion
  • ACT · Acetate ion

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