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Ligand · R2Q

R2Q · 3-(2-phenylimidazo[1,2-a]pyridin-6-yl) benzenecarbonitrile

R2Q, 3-(2-phenylimidazo[1,2-a]pyridin-6-yl) benzenecarbonitrile (C20 H13 N3, 295.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
R2Q
Formula
C20 H13 N3
Class
ligand
Structures
2
PDB entries
1

Binding sites

R2Q in 2 structures; the first of them:

  • 7A6Q · Crystal structure of human aldehyde dehydrogenase 1A3 in complex with selective NR6… · R2Q A602 · binds ILE132, GLY136, ARG139, THR140, LEU185, ASN469, ALA470, LEU471 and 5 more
  • 7A6Q · Crystal structure of human aldehyde dehydrogenase 1A3 in complex with selective NR6… · R2Q A602 · binds GLY136, ARG139, THR140, ASN469, ALA470, LEU471, TYR472, ALA473 and 2 more

Residues it binds most

ASN 4, ALA 4, LEU 4, ASP 4, GLY 4, THR 4, TYR 4, ARG 3, ILE 2, VAL 1 (residue and the binding sites it lines).

Found with

  • NAD · Nicotinamide-adenine-dinucleotide
  • R2K · (3-oxidanylidene-3-sodiooxy-propanoyl)oxysodium
  • NA · Sodium ion
  • GOL · Glycerol

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