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Ligand · 677

677 · (2R,3R)-7-(methylsulfonyl)-3-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-2-amine

677, (2R,3R)-7-(methylsulfonyl)-3-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-2-amine (C18 H16 F3 N3 O2 S, 395.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
677
Formula
C18 H16 F3 N3 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

677 in 2 structures; the first of them:

  • 3HAB · The structure of DPP4 in complex with piperidine fused benzimidazole 25 · 677 A803 · binds ARG125, GLU205, GLU206, SER209, PHE357, TYR547, SER630, TYR631 and 7 more
  • 3HAB · The structure of DPP4 in complex with piperidine fused benzimidazole 25 · 677 A803 · binds ARG125, GLU205, GLU206, SER209, PHE357, TYR547, SER630, TYR631 and 7 more

Residues it binds most

TYR 4, GLU 4, SER 4, VAL 4, ARG 4, ASN 4, HIS 4, PHE 4, TRP 4 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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