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Ligand · RB4

RB4 · ethyl 2-({N-[2-(1H-indol-3-yl)ethyl]glycyl}amino)-4-phenylthiophene-3-carboxylate

RB4, ethyl 2-({N-[2-(1H-indol-3-yl)ethyl]glycyl}amino)-4-phenylthiophene-3-carboxylate (C25 H25 N3 O3 S, 447.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5…

Component
RB4
Formula
C25 H25 N3 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

RB4 in 2 structures; the first of them:

  • 3T7Q · Endothiapepsin in complex with an inhibitor based on the Gewald reaction · RB4 A1001 · binds ASP33, ASP35, TYR79, GLY80, ASP81, SER83, PHE116, ILE122 and 7 more
  • 3T7Q · Endothiapepsin in complex with an inhibitor based on the gewald reaction · RB4 A1001 · binds ASP33, ASP35, TYR79, GLY80, ASP81, SER83, PHE116, ILE122 and 7 more

Residues it binds most

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

Found with

  • ACT · Acetate ion
  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol

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