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Ligand · 1R7

1R7 · N-(4-{[1-(tetrahydro-2H-pyran-4-yl)piperidin-4-yl]sulfonyl}benzyl)-2H-pyrrolo[3,4-c]pyridine-2-carboxamide

1R7, N-(4-{[1-(tetrahydro-2H-pyran-4-yl)piperidin-4-yl]sulfonyl}benzyl)-2H-pyrrolo[3,4-c]pyridine-2-carboxamide (C25 H30 N4 O4 S, 482.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
1R7
Formula
C25 H30 N4 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

1R7 in 2 structures; the first of them:

  • 4KFP · Identification of 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-derived Ureas as Potent… · 1R7 A601 · binds TYR188, HIS191, PHE193, ARG196, ASP219, SER241, VAL242, ALA244 and 11 more
  • 4KFP · Identification of 2,3-dihydro-1H-PYRROLO[3,4-C]PYRIDINE-derived ureas as potent… · 1R7 A601 · binds TYR188, HIS191, PHE193, ARG196, ASP219, SER241, VAL242, ALA244 and 11 more

Residues it binds most

ALA 4, ARG 4, ASP 4, ILE 4, PRO 4, SER 4, TYR 4, GLN 4, HIS 4, PHE 4 (residue and the binding sites it lines).

Found with

  • PO4 · Phosphate ion
  • EDO · 1,2-ethanediol

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