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Ligand · LGE

LGE · methyl [3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-7-oxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl]acetate

LGE, methyl [3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-7-oxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl]acetate (C18 H17 Cl2 N3 O3, 394.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
LGE
Formula
C18 H17 Cl2 N3 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

LGE in 2 structures; the first of them:

  • 3Q0T · Crystal structure of human dpp-iv in complex withsa-(+)… · LGE A1 · binds ARG125, GLU205, GLU206, TYR547, SER630, TYR631, VAL656, TRP659 and 5 more
  • 3Q0T · Crystal structure of human dpp-IV in complex withsa-(+)- METHYL2-(3… · LGE A1 · binds ARG125, GLU205, GLU206, TYR547, SER630, TYR631, VAL656, TRP659 and 5 more

Residues it binds most

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

Found with

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

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