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Ligand · Y6A

Y6A · 2-(benzotriazol-1-yl)-~{N}-[4-(1~{H}-pyrazol-4-yl) phenyl]-~{N}-(thiophen-3-ylmethyl)ethanamide

Y6A, 2-(benzotriazol-1-yl)-~{N}-[4-(1~{H}-pyrazol-4-yl) phenyl]-~{N}-(thiophen-3-ylmethyl)ethanamide (C22 H18 N6 O S, 414.5 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its…

Component
Y6A
Formula
C22 H18 N6 O S
Class
ligand
Structures
3
PDB entries
2

Binding sites

Y6A in 3 structures; the first of them:

  • 7LMD · SARS-CoV-2 3CLPro in complex with 2-(benzotriazol-1-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]-N-(3… · Y6A A401 · binds THR25, HIS41, CYS44, THR45, SER46, MET49, PHE140, LEU141 and 11 more
  • 7LMI · SARS-CoV-1 3CLPro in complex with N-(4-(1H-pyrazol-4-yl)phenyl)-2-(1H-benzo[d][1,2,3]triaz… · Y6A AAA402 · binds THR25, HIS41, CYS44, THR45, ALA46, MET49, PHE140, LEU141 and 11 more
  • 7LMD · SARS-cov-2 3CLPRO in complex with 2-(benzotriazol-1-yl)-N-[4-(1H… · Y6A A401 · binds THR25, HIS41, CYS44, THR45, SER46, MET49, PHE140, LEU141 and 11 more

Residues it binds most

HIS 3, CYS 3, MET 3, THR 3, SER 3, ARG 3, ASN 3, ASP 3, GLN 3, GLU 3 (residue and the binding sites it lines).

Found with

  • GOL · Glycerol

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