Ligand · SQ2
SQ2 · 2-(1H-1,2,3-benzotriazol-1-yl)-1-(4-methylpiperidin-1-yl)ethan-1-one
SQ2, 2-(1H-1,2,3-benzotriazol-1-yl)-1-(4-methylpiperidin-1-yl)ethan-1-one (C14 H18 N4 O, 258.3 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…
- Component
- SQ2
- Formula
- C14 H18 N4 O
- Class
- ligand
- Structures
- 3
- PDB entries
- 2
Binding sites
SQ2 in 3 structures; the first of them:
- 7B2J · Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 5 · SQ2 A401 · binds HIS41, MET49, TYR54, PHE140, LEU141, ASN142, SER144, CYS145 and 7 more
- 7GG9 · Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID… · SQ2 A404 · binds HIS41, MET49, TYR54, PHE140, LEU141, ASN142, SER144, CYS145 and 7 more
- 7B2J · Crystal structure of SARS-cov-2 main protease (NSP5) in complex with compound 5 · SQ2 A401 · binds HIS41, MET49, TYR54, PHE140, LEU141, ASN142, SER144, CYS145 and 7 more
Residues it binds most
HIS 3, MET 3, ARG 3, ASN 3, ASP 3, CYS 3, GLN 3, GLU 3, LEU 3, PHE 3 (residue and the binding sites it lines).
Found with
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