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Ligand · 1WH

1WH · 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyethyl)-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one

1WH, 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyethyl)-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one (C18 H19 Cl2 N3 O2, 380.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
1WH
Formula
C18 H19 Cl2 N3 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

1WH in 2 structures; the first of them:

  • 4LKO · Crystal structure of human DPP-IV in complex with BMS-744891 · 1WH A801 · binds ARG125, GLU205, GLU206, TYR547, SER630, TYR631, VAL656, TRP659 and 5 more
  • 4LKO · Crystal structure of human dpp-IV in complex with bms-744891 · 1WH A801 · 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).

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