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Ligand · 06I

06I · 5-(3-{3-chloro-5-[(5-methyl-1,3-thiazol-4-yl) methoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl) pyrimidine-2,4(1H,3H)-dione

06I, 5-(3-{3-chloro-5-[(5-methyl-1,3-thiazol-4-yl) methoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl) pyrimidine-2,4(1H,3H)-dione (C25 H18 Cl N5 O4 S, 520.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
06I
Formula
C25 H18 Cl N5 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

06I in 2 structures; the first of them:

  • 7N44 · Crystal structure of the SARS-CoV-2 (2019-NCoV) main protease in complex with… · 06I A401 · binds THR25, THR26, LEU27, HIS41, MET49, TYR54, PHE140, LEU141 and 17 more
  • 7N44 · Crystal structure of the SARS-cov-2 (2019-ncov) main protease in complex with… · 06I A401 · binds THR25, THR26, LEU27, HIS41, MET49, TYR54, PHE140, LEU141 and 17 more

Residues it binds most

HIS 2, LEU 2, THR 2, GLN 2, MET 2, ALA 2, ARG 2, ASN 2, ASP 2, CYS 2 (residue and the binding sites it lines).

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