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Ligand · R04

R04 · (2E)-N-allyl-4-{[3-(4-bromophenyl)-5-fluoro-1-methyl-1H-indazol-6-yl]oxy}-N-methyl-2-buten-1-amine

R04, (2E)-N-allyl-4-{[3-(4-bromophenyl)-5-fluoro-1-methyl-1H-indazol-6-yl]oxy}-N-methyl-2-buten-1-amine (C22 H23 Br F N3 O, 444.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
R04
Formula
C22 H23 Br F N3 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

R04 in 2 structures; the first of them:

  • 1H3A · Structures of Human Oxidosqualene Cyclase Inhibitors Bound to an Homologous Enzyme · R04 A800 · binds LEU36, ARG127, PHE129, TRP169, ILE261, PRO263, ALA306, SER307 and 13 more
  • 1H3A · Structures of human oxidosqualene cyclase inhibitors bound to an homologous enzyme · R04 A800 · binds LEU36, ARG127, PHE129, TRP169, ILE261, PRO263, ALA306, SER307 and 13 more

Residues it binds most

PHE 6, TYR 6, ASP 6, TRP 6, LEU 6, ALA 6, ARG 6, ILE 6, PRO 6, SER 6 (residue and the binding sites it lines).

Found with

  • C8E · (hydroxyethyloxy)tri(ethyloxy)octane

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