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Ligand · 49O

49O · 2-(piperazin-1-yl)pyridine-3-carbonitrile

49O, 2-(piperazin-1-yl)pyridine-3-carbonitrile (C10 H12 N4, 188.2 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands…

Component
49O
Formula
C10 H12 N4
Class
ligand
Structures
1
PDB entries
1

Binding sites

49O in 1 structure; the first of them:

  • 4Y2R · Structure of soluble epoxide hydrolase in complex with 2-(piperazin-1-yl)nicotinonitrile · 49O A602 · binds PHE267, ASP335, TYR383, PHE387, LEU408, LEU417, MET419, TYR466 and 3 more

Residues it binds most

LEU 1, PHE 1, TYR 1, ASP 1, HIS 1, MET 1, TRP 1, VAL 1 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion

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