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Ligand · 4K6

4K6 · N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-4-(4H-1,2,4-triazol-4-yl)benzamide

4K6, N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-4-(4H-1,2,4-triazol-4-yl)benzamide (C20 H20 N6 O, 360.4 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…

Component
4K6
Formula
C20 H20 N6 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

4K6 in 2 structures; the first of them:

  • 4YZU · Rapid development of two Factor IXa inhibitors from Hit to Lead · 4K6 A301 · binds ASN97, TYR99, PHE174, ASP189, SER190, CYS191, GLN192, SER195 and 7 more
  • 4YZU · Rapid development of two factor ixa inhibitors from hit to lead · 4K6 A301 · binds ASN97, TYR99, PHE174, ASP189, SER190, CYS191, GLN192, SER195 and 7 more

Residues it binds most

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

Found with

  • NA · Sodium ion
  • CL · Chloride ion
  • NHE · 2-[N-cyclohexylamino]ethane sulfonic acid

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