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Ligand · R63

R63 · methyl 4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxylate

R63, methyl 4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxylate (C17 H18 N2 O4, 314.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues…

Component
R63
Formula
C17 H18 N2 O4
Class
ligand
Structures
2
PDB entries
2

Binding sites

R63 in 2 structures; the first of them:

  • 8BHM · GABA-A receptor a5 homomer - a5V3 - DMCM · R63 A502 · binds PHE103, HIS105, GLY161, SER162, TYR163, ILE206, THR208, SER209 and 11 more
  • 8DD3 · Human GABAA receptor alpha1-beta2-gamma2 subtype in complex with GABA plus DMCM · R63 A403 · binds VAL258, LEU259, THR262, ASN265, MET286, PHE289, ILE228, LEU232 and 5 more

Residues it binds most

THR 8, PHE 8, TYR 6, SER 6, ILE 7, MET 8, ALA 6, GLY 6, HIS 6, ASP 5 (residue and the binding sites it lines).

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • ABU · Gamma-amino-butanoic acid
  • BMA · beta-D-mannopyranose
  • MAN · alpha-D-mannopyranose

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