GL1X · GenesisL1 explorer

Ligand · Y6J

Y6J · ~{N}-[4-[2-(benzotriazol-1-yl)ethanoyl-(thiophen-3-ylmethyl)amino]phenyl]cyclopropanecarboxamide

Y6J, ~{N}-[4-[2-(benzotriazol-1-yl)ethanoyl-(thiophen-3-ylmethyl)amino]phenyl]cyclopropanecarboxamide (C23 H21 N5 O2 S, 431.5 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its…

Component
Y6J
Formula
C23 H21 N5 O2 S
Class
ligand
Structures
3
PDB entries
2

Binding sites

Y6J in 3 structures; the first of them:

  • 7GD3 · Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID… · Y6J A404 · binds THR24, THR25, HIS41, CYS44, MET49, TYR54, PHE140, LEU141 and 10 more
  • 7LME · SARS-CoV-2 3CLPro in complex with N-[4-[[2-(benzotriazol-1-yl)acetyl]-(3-thienylmethyl)ami… · Y6J A401 · binds THR24, THR25, HIS41, CYS44, THR45, SER46, MET49, PHE140 and 13 more
  • 7LME · SARS-cov-2 3CLPRO in complex with N-[4-[[2-(benzotriazol-1-YL)ACETYL]… · Y6J A401 · binds THR24, THR25, HIS41, CYS44, THR45, SER46, MET49, PHE140 and 13 more

Residues it binds most

HIS 5, THR 5, SER 5, CYS 5, MET 5, ARG 5, ASN 5, ASP 5, GLN 5, GLU 5 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide

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