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Ligand · KXA

KXA · 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyphenyl)-2-methyl-5,6-dihydro-7H-pyrrolo[3,4-b]pyridin-7-one

KXA, 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyphenyl)-2-methyl-5,6-dihydro-7H-pyrrolo[3,4-b]pyridin-7-one (C22 H19 Cl2 N3 O2, 428.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
KXA
Formula
C22 H19 Cl2 N3 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

KXA in 2 structures; the first of them:

  • 3SX4 · Crystal structure of human dpp-iv in complex with… · KXA A1 · binds ARG125, GLU205, GLU206, TYR547, TRP629, SER630, TYR631, VAL656 and 6 more
  • 3SX4 · Crystal structure of human dpp-IV in complex with sa-(+)-3… · KXA A1 · binds ARG125, GLU205, GLU206, TYR547, TRP629, SER630, TYR631, VAL656 and 6 more

Residues it binds most

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

Found with

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

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