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Ligand · DE3

DE3 · N,N-diethyl-3-methylbenzamide

DE3, N,N-diethyl-3-methylbenzamide (C12 H17 N O, 191.3 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found…

Component
DE3
Formula
C12 H17 N O
Class
ligand
Structures
4
PDB entries
2

Binding sites

DE3 in 4 structures; the first of them:

  • 3N7H · Crystal structure of Odorant Binding Protein 1 from Anopheles gambiae (AgamOBP1) with… · DE3 A129 · binds LEU73, LEU76, HIS77, LEU80, ALA88, MET89, MET91, GLY92 and 6 more
  • 7LIG · The structure of the insect olfactory receptor OR5 from Machilis hrabei in complex with… · DE3 A900 · binds VAL88, TYR91, PHE92, SER151, GLY154, TRP155, TRP158, MET209 and 4 more
  • 3N7H · Crystal structure of odorant binding protein 1 from anopheles gambiae (AGAMOBP1) with… · DE3 A129 · binds LEU73, LEU76, HIS77, LEU80, ALA88, MET89, MET91, GLY92 and 6 more
  • 7LIG · The structure of the insect olfactory receptor OR5 from machilis hrabei in complex with… · DE3 A900 · binds VAL88, TYR91, PHE92, SER151, GLY154, TRP155, TRP158, MET209 and 4 more

Residues it binds most

LEU 12, TYR 8, TRP 12, MET 12, GLY 12, ILE 8, LYS 4, PHE 8, SER 8, VAL 8 (residue and the binding sites it lines).

Found with

  • PEU · 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56, 59,62,65,68,71,74,77,80-heptacosaoxadooctacontan-82-ol
  • MG · Magnesium ion
  • CL · Chloride ion
  • MOH · Methanol

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