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Ligand · RUM

RUM · 2-({2-[(3R)-3-aminopiperidin-1-yl]-5-bromo-6-oxopyrimidin-1(6H)-yl}methyl)benzonitrile

RUM, 2-({2-[(3R)-3-aminopiperidin-1-yl]-5-bromo-6-oxopyrimidin-1(6H)-yl}methyl)benzonitrile (C17 H18 Br N5 O, 388.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
RUM
Formula
C17 H18 Br N5 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

RUM in 2 structures; the first of them:

  • 3G0G · Crystal structure of dipeptidyl peptidase IV in complex with a pyrimidi inhibitor 3 · RUM A800 · binds ARG125, GLU205, GLU206, PHE357, TYR547, TRP629, SER630, TYR631 and 8 more
  • 3G0G · Crystal structure of dipeptidyl peptidase IV in complex with a pyrimidinone inhibitor 3 · RUM A800 · binds ARG125, GLU205, GLU206, PHE357, TYR547, TRP629, SER630, TYR631 and 8 more

Residues it binds most

TYR 8, GLU 8, TRP 8, VAL 8, ARG 8, ASN 8, HIS 8, PHE 8, SER 8, GLY 2 (residue and the binding sites it lines).

Found with

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

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