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Ligand · 7KE

7KE · 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol

7KE, 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol (C11 H11 Cl N2 O2, 238.7 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
7KE
Formula
C11 H11 Cl N2 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

7KE in 2 structures; the first of them:

  • 5MAR · Structure of human SIRT2 in complex with 1,2,4-Oxadiazole inhibitor and ADP ribose. · 7KE A403 · binds PRO94, PHE96, LEU103, PHE119, PHE131, LEU134, LEU138, ILE169 and 5 more
  • 5MAR · Structure of human SIRT2 in complex with 1,2,4-oxadiazole inhibitor and ADP ribose. · 7KE A403 · binds PHE96, LEU103, PHE119, LEU134, LEU138, ILE169, ILE232, VAL233 and 1 more

Residues it binds most

LEU 4, PHE 4, ILE 4, VAL 4, HIS 2, PRO 2 (residue and the binding sites it lines).

Found with

  • AR6 · [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [hydroxy-[[(2R,3S,4R,5S)-3,4,5-trihydroxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate
  • ZN · Zinc ion
  • ACT · Acetate ion
  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol
  • GOL · Glycerol

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