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Ligand · 2YI

2YI · Methyl 3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]carbonyl-5-[(2-ethyl-2-methanoyl-butanoyl) amino]benzoate

2YI, Methyl 3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]carbonyl-5-[(2-ethyl-2-methanoyl-butanoyl) amino]benzoate (C27 H32 Br N3 O5, 558.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
2YI
Formula
C27 H32 Br N3 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

2YI in 2 structures; the first of them:

  • 7OR4 · Crystal structure of DPP8 in complex with a 4-oxo-b-lactam based inhibitor, B142 · 2YI B902 · binds TYR74, MET75, PHE667, TYR669, LYS685, TYR686, ARG688, LEU689 and 14 more
  • 7OR4 · Crystal structure of DPP8 in complex with a 4-oxo-B-lactam based inhibitor, B142 · 2YI B902 · binds TYR74, PHE667, LYS685, TYR686, ARG688, LEU689, TRP754, SER755 and 6 more

Residues it binds most

LEU 4, TYR 4, ARG 4, SER 4, ALA 4, LYS 4, TRP 4, ASP 3, GLU 3, PHE 3 (residue and the binding sites it lines).

Found with

  • TMO · trimethylamine oxide

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