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Ligand · RB9

RB9 · N-benzyl-2-({N-[2-(1H-indol-3-yl)ethyl]glycyl}amino)-4-phenylthiophene-3-carboxamide

RB9, N-benzyl-2-({N-[2-(1H-indol-3-yl)ethyl]glycyl}amino)-4-phenylthiophene-3-carboxamide (C30 H28 N4 O2 S, 508.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within…

Component
RB9
Formula
C30 H28 N4 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

RB9 in 2 structures; the first of them:

  • 3PSY · Endothiapepsin in complex with an inhibitor based on the Gewald reaction · RB9 A1001 · binds ASP33, ASP35, GLY37, SER38, TYR79, GLY80, ASP81, SER83 and 13 more
  • 3PSY · Endothiapepsin in complex with an inhibitor based on the gewald reaction · RB9 A1001 · binds ASP33, ASP35, GLY37, SER38, TYR79, GLY80, ASP81, SER83 and 13 more

Residues it binds most

ASP 2, ILE 2, GLY 2, PHE 2, SER 2, TYR 2, LEU 2, THR 2 (residue and the binding sites it lines).

Found with

  • 1PE · Pentaethylene glycol
  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol
  • PG4 · Tetraethylene glycol

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