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Ligand · 7IL

7IL · N-[(1R)-2-(tert-butylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-N-(4-tert-butylphenyl)-1H-imidazole-5-carboxamide

7IL, N-[(1R)-2-(tert-butylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-N-(4-tert-butylphenyl)-1H-imidazole-5-carboxamide (C25 H31 N5 O2, 433.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
7IL
Formula
C25 H31 N5 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

7IL in 2 structures; the first of them:

  • 7PFM · A SARS-CoV2 major protease non-covalent ligand structure determined to 2.0 A resolution · 7IL A401 · binds THR25, THR26, LEU27, HIS41, CYS44, MET49, TYR54, PHE140 and 13 more
  • 7PFM · A SARS-COV2 major protease non-covalent ligand structure determined to 2.0 a resolution · 7IL A401 · binds THR25, THR26, LEU27, HIS41, CYS44, MET49, TYR54, PHE140 and 13 more

Residues it binds most

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

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