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Ligand · R9F

R9F · 7-fluoro-9H-pyrimido[4,5-b]indol-4-amine

R9F, 7-fluoro-9H-pyrimido[4,5-b]indol-4-amine (C10 H7 F N4, 202.2 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 it binds most and the…

Component
R9F
Formula
C10 H7 F N4
Class
ligand
Structures
2
PDB entries
2

Binding sites

R9F in 2 structures; the first of them:

  • 5SRH · Pandda analysis group deposition -- crystal structure of SARS-cov-2 NSP3 macrodomain in… · R9F A303 · binds ASP22, ILE23, GLY48, VAL49, ALA52, PRO125, ALA154, PHE156
  • 5SRI · Pandda analysis group deposition -- crystal structure of SARS-cov-2 NSP3 macrodomain in… · R9F A201 · binds ALA21, ASP22, ILE23, GLY48, VAL49, ALA52, ALA154, PHE156

Residues it binds most

ALA 2, ASP 2, GLY 2, ILE 2, PHE 2, VAL 2, PRO 1 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide
  • TFA · trifluoroacetic acid

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