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Ligand · ECN

ECN · 1-[(2S)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole

ECN, 1-[(2S)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole (C18 H15 Cl3 N2 O, 381.7 g/mol), in the MolNFT structures on GenesisL1: bound in 10 records (6 PDB entries). Every binding site with its residues within 4.5 Å…

Component
ECN
Formula
C18 H15 Cl3 N2 O
Class
ligand
Structures
10
PDB entries
6

Binding sites

ECN in 10 structures; the first of them:

  • 2UVN · Crystal structure of econazole-bound CYP130 from Mycobacterium tuberculosis · ECN A1409 · binds LEU71, ASP85, THR86, PRO87, PRO88, MET89, MET91, PHE100 and 11 more
  • 3JUS · Crystal structure of human lanosterol 14alpha-demethylase (CYP51) in complex with… · ECN A602 · binds TYR131, LEU134, THR135, PHE139, ALA144, TYR145, PHE152, LEU159 and 6 more
  • 3OZV · The Crystal Structure of flavohemoglobin from R. eutrophus in complex with econazole · ECN B411 · binds ILE24, ILE25, PHE28, TYR29, PHE43, GLN53, ALA56, LEU57 and 4 more
  • 4G1B · X-ray structure of yeast flavohemoglobin in complex with econazole · ECN A403 · binds ILE24, THR25, PHE28, TYR29, PHE43, GLN53, ALA56, LEU57 and 8 more
  • 8TF3 · Wildtype rabbit TRPV5 into nanodiscs in complex with econazole · ECN A804 · binds CYS330, ALA333, SER334, ILE337, VAL465, MET466, PHE468, ALA469 and 6 more
  • 8TF4 · Wildtype rabbit TRPV5 into nanodiscs in the presence of PI(4,5)P2 and econazole · ECN A804 · binds CYS330, ALA333, SER334, ILE337, VAL465, MET466, PHE468, ALA469 and 5 more
  • 2UVN · Crystal structure of econazole-bound CYP130 from mycobacterium tuberculosis · ECN A1409 · binds LEU71, ASP85, THR86, PRO87, PRO88, MET89, MET91, PHE100 and 11 more
  • 3JUS · Crystal structure of human lanosterol 14ALPHA-demethylase (CYP51) in complex with… · ECN A602 · binds TYR131, LEU134, THR135, PHE139, ALA144, TYR145, PHE152, LEU159 and 6 more
  • 3OZV · The crystal structure of flavohemoglobin from R. eutrophus in complex with econazole · ECN B411 · binds ILE24, ILE25, PHE28, TYR29, PHE43, GLN53, ALA56, LEU57 and 4 more
  • 4G1B · X-ray structure of yeast flavohemoglobin in complex with econazole · ECN A403 · binds ILE24, THR25, PHE28, TYR29, PHE43, GLN53, ALA56, LEU57 and 8 more

Residues it binds most

LEU 28, PHE 28, VAL 24, ALA 24, THR 16, ILE 24, TYR 20, MET 12, TRP 14, GLN 12 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe
  • FAD · Flavin-adenine dinucleotide
  • CPL · 1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphocholine
  • DGG · 1-[glycerolylphosphonyl]-2-[8-(2-hexyl-cyclopropyl)-octanal-1-yl]-3-[hexadecanal-1-yl]-glycerol
  • ECL · 1-[(2R)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl) ethyl]-1H-imidazole
  • ERG · Ergosterol
  • GLC · alpha-D-glucopyranose
  • F · Fluoride ion
  • PO4 · Phosphate ion
  • SO4 · Sulfate ion

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