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Ligand · RXD

RXD · N-[3-(2-fluoroethoxy)phenyl]-N'-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)butanediamide

RXD, N-[3-(2-fluoroethoxy)phenyl]-N'-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)butanediamide (C21 H18 F N3 O6, 427.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
RXD
Formula
C21 H18 F N3 O6
Class
ligand
Structures
2
PDB entries
1

Binding sites

RXD in 2 structures; the first of them:

  • 3DEK · Crystal Structures of Caspase-3 with Bound Isoquinoline-1,3,4-trione Derivative Inhibitors · RXD A300 · binds GLY122, GLU123, OCS163, GLY165, THR166, LEU168, TYR204, THR166 and 1 more
  • 3DEK · Crystal structures of caspase-3 with bound isoquinoline-1,3,4-trione derivative inhibitors · RXD A300 · binds GLY122, GLU123, OCS163, GLY165, THR166, LEU168, TYR204, THR166 and 1 more

Residues it binds most

GLY 2, THR 2, GLU 2, LEU 2, OCS 2, PHE 2, TYR 2 (residue and the binding sites it lines).

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