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Ligand · 834

834 · N-[2-(2-chlorophenyl)-4-methyl-5-(1-methylethyl)-1H-imidazol-1-yl]-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide

834, N-[2-(2-chlorophenyl)-4-methyl-5-(1-methylethyl)-1H-imidazol-1-yl]-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide (C23 H24 Cl N3 O3, 425.9 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every…

Component
834
Formula
C23 H24 Cl N3 O3
Class
ligand
Structures
4
PDB entries
2

Binding sites

834 in 4 structures; the first of them:

  • 3IXP · Crystal structure of the ecdysone receptor bound to BYI08346 · 834 D800 · binds PHE336, ILE339, THR340, THR343, SER377, MET380, MET381, VAL384 and 13 more
  • 7BJU · Crystal structure of the ligand-binding domains of the heterodimer EcR/USP bound to the… · 834 D602 · binds PHE336, ILE339, THR340, THR343, SER377, MET380, MET381, VAL384 and 15 more
  • 3IXP · Crystal structure of the ecdysone receptor bound to BYI08346 · 834 D800 · binds PHE336, ILE339, THR340, THR343, SER377, MET380, MET381, VAL384 and 13 more
  • 7BJU · Crystal structure of the ligand-binding domains of the heterodimer ECR/USP bound to the… · 834 D602 · binds PHE336, ILE339, THR340, THR343, MET380, MET381, VAL384, TYR403 and 12 more

Residues it binds most

MET 4, LEU 4, THR 4, TYR 4, VAL 4, ASN 4, ASP 4, CYS 4, GLN 4, ILE 4 (residue and the binding sites it lines).

Found with

  • EPH · L-alpha-phosphatidyl-beta-oleoyl-gamma-palmitoyl-phosphatidylethanolamine
  • MG · Magnesium ion
  • PE8 · 3,6,9,12,15,18,21-heptaoxatricosane-1,23-diol
  • PEG · Di(hydroxyethyl)ether
  • PGE · Triethylene glycol

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