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Ligand · 7XB

7XB · 2-[4-[[4-[bis(fluoranyl)methoxy]-2-methyl-phenyl]amino]-2,6-bis(oxidanylidene)-3-[[3,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazin-1-yl]-N-methyl-ethanamide

7XB, 2-[4-[[4-[bis(fluoranyl)methoxy]-2-methyl-phenyl]amino]-2,6-bis(oxidanylidene)-3-[[3,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazin-1-yl]-N-methyl-ethanamide (C21 H18 F5 N5 O4, 499.4 g/mol), in the MolNFT structures on GenesisL1…

Component
7XB
Formula
C21 H18 F5 N5 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

7XB in 2 structures; the first of them:

  • 7VTH · The crystal structure of SARS-CoV-2 3CL protease in complex with compound 1 · 7XB A501 · binds THR24, THR25, THR26, LEU27, HIS41, TYR54, PHE140, LEU141 and 13 more
  • 7VTH · The crystal structure of SARS-cov-2 3CL protease in complex with compound 1 · 7XB A501 · binds THR24, THR25, THR26, LEU27, HIS41, TYR54, PHE140, LEU141 and 13 more

Residues it binds most

HIS 4, THR 4, LEU 4, SER 4, MET 4, ARG 4, ASN 4, ASP 4, CYS 4, GLN 4 (residue and the binding sites it lines).

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