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Ligand · 1MD

1MD · 2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-N,N-dimethylacetamide

1MD, 2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-N,N-dimethylacetamide (C19 H20 Cl2 N4 O2, 407.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
1MD
Formula
C19 H20 Cl2 N4 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

1MD in 2 structures; the first of them:

  • 4JH0 · Crystal structure of dipeptidyl-peptidase 4 (CD26, adenosine deaminase complexing protein… · 1MD A801 · binds ARG125, GLU205, GLU206, TYR547, SER630, TYR631, VAL656, TRP659 and 5 more
  • 4JH0 · Crystal structure of dipeptidyl-peptidase 4 (CD26, adenosine deaminase complexing protein… · 1MD 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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