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Ligand · X47

X47 · N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-1H-imidazole-4-carboxamide

X47, N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-1H-imidazole-4-carboxamide (C26 H31 N5 O2, 445.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
X47
Formula
C26 H31 N5 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

X47 in 2 structures; the first of them:

  • 6WCO · Structure of SARS main protease bound to inhibitor X47 · X47 A403 · binds THR25, THR26, LEU27, HIS41, MET49, PHE140, LEU141, ASN142 and 11 more
  • 6WCO · Structure of SARS main protease bound to inhibitor X47 · X47 A403 · binds THR25, THR26, HIS41, MET49, PHE140, LEU141, ASN142, GLY143 and 9 more

Residues it binds most

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

Found with

  • DMS · Dimethyl sulfoxide
  • MES · 2-(N-morpholino)-ethanesulfonic acid

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