Ligand · XNJ
XNJ · N-(4-methyl-3-{[4-(pyridin-3-yl)-1,3-thiazol-2-yl]amino}phenyl)-4-[(piperazin-1-yl)methyl]benzamide
XNJ, N-(4-methyl-3-{[4-(pyridin-3-yl)-1,3-thiazol-2-yl]amino}phenyl)-4-[(piperazin-1-yl)methyl]benzamide (C27 H28 N6 O S, 484.6 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its…
- Component
- XNJ
- Formula
- C27 H28 N6 O S
- Class
- ligand
- Structures
- 4
- PDB entries
- 2
Binding sites
XNJ in 4 structures; the first of them:
- 7L5D · The crystal structure of SARS-CoV-2 Main Protease in complex with demethylated analog of… · XNJ A401 · binds THR24, THR25, HIS41, CYS44, THR45, SER46, MET49, TYR54 and 12 more
- 7TVS · The Crystal Structure of SARS-CoV-2 Omicron Mpro (P132H) in complex with demethylated… · XNJ A401 · binds THR24, THR25, HIS41, CYS44, THR45, SER46, TYR54, PHE140 and 11 more
- 7L5D · The crystal structure of SARS-cov-2 main protease in complex with demethylated analog of… · XNJ A401 · binds THR24, THR25, HIS41, CYS44, THR45, SER46, MET49, TYR54 and 12 more
- 7TVS · The crystal structure of SARS-cov-2 omicron mpro (P132H) in complex with demethylated… · XNJ A401 · binds THR24, THR25, HIS41, CYS44, THR45, SER46, TYR54, PHE140 and 11 more
Residues it binds most
HIS 4, THR 4, CYS 4, SER 4, MET 4, ARG 4, ASN 4, ASP 4, GLU 4, LEU 4 (residue and the binding sites it lines).
Found with
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