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Ligand · U0P

U0P · N'-cyclopropyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl) methyl]urea

U0P, N'-cyclopropyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl) methyl]urea (C10 H15 N3 O2, 209.2 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues…

Component
U0P
Formula
C10 H15 N3 O2
Class
ligand
Structures
3
PDB entries
2

Binding sites

U0P in 3 structures; the first of them:

  • 5RGI · PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal… · U0P A404 · binds THR25, THR26, LEU27, HIS41, PHE140, LEU141, ASN142, GLY143 and 7 more
  • 5RGI · Pandda analysis group deposition SARS-cov-2 main protease fragment screen -- crystal… · U0P A404 · binds THR25, THR26, PHE140, LEU141, ASN142, GLY143, SER144, CYS145 and 3 more
  • 5S2D · Pandda analysis group deposition -- crystal structure of SARS-cov-2 NSP3 macrodomain in… · U0P B601 · binds ASN4, GLU120, VAL121, ASN150, TYR152

Residues it binds most

HIS 2, ASN 3, THR 2, GLU 3, LEU 2, CYS 2, GLY 2, PHE 2, SER 2, MET 1 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide

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