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Ligand · 2R4

2R4 · 8-(dibenzo[b,d]thiophen-4-yl)-2-(morpholin-4-yl)-4H-chromen-4-one

2R4, 8-(dibenzo[b,d]thiophen-4-yl)-2-(morpholin-4-yl)-4H-chromen-4-one (C25 H19 N O3 S, 413.5 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 residues…

Component
2R4
Formula
C25 H19 N O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

2R4 in 2 structures; the first of them:

  • 7OTM · Cryo-EM structure of DNA-PKcs in complex with NU7441 · 2R4 A6101 · binds THR3727, VAL3728, MET3729, PRO3735, ARG3737, LEU3751, LYS3753, TYR3791 and 7 more
  • 7OTM · Cryo-EM structure of DNA-pkcs in complex with NU7441 · 2R4 A6101 · binds THR3727, VAL3728, MET3729, PRO3735, LYS3753, TYR3791, GLU3804, TRP3805 and 4 more

Residues it binds most

MET 2, LEU 2, THR 2, ASP 2, GLU 2, ILE 2, LYS 2, PRO 2, TRP 2, TYR 2 (residue and the binding sites it lines).

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