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Ligand · ID6

ID6 · 2-(4-chlorobenzyl)-8-ethoxy-1,3-dimethylcyclohepta[c]pyrrol-4(2H)-one

ID6, 2-(4-chlorobenzyl)-8-ethoxy-1,3-dimethylcyclohepta[c]pyrrol-4(2H)-one (C20 H20 Cl N O2, 341.8 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…

Component
ID6
Formula
C20 H20 Cl N O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

ID6 in 2 structures; the first of them:

  • 4CQA · Plasmodium falciparum dihydroorotate dehydrogenase (DHODH) in complex with IDI-6273 · ID6 A1000 · binds PHE171, LEU172, CYS175, LEU176, ASP180, GLY181, CYS184, HIS185 and 11 more
  • 4CQA · Plasmodium falciparum dihydroorotate dehydrogenase (dhodh) in complex with idi-6273 · ID6 A1000 · binds PHE171, LEU172, CYS175, LEU176, ASP180, GLY181, CYS184, HIS185 and 11 more

Residues it binds most

LEU 4, PHE 4, CYS 4, ARG 4, GLY 4, HIS 4, ILE 4, MET 4, TYR 4, VAL 4 (residue and the binding sites it lines).

Found with

  • FMN · Flavin mononucleotide
  • ORO · Orotic acid

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