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Ligand · 1QS

1QS · N-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}imidazo[1,2-a]pyridine-6-carboxamide

1QS, N-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}imidazo[1,2-a]pyridine-6-carboxamide (C21 H15 F2 N3 O3 S, 427.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within…

Component
1QS
Formula
C21 H15 F2 N3 O3 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

1QS in 4 structures; the first of them:

  • 4KFO · Structure-Based Discovery of Novel Amide-Containing Nicotinamide… · 1QS A601 · binds TYR188, HIS191, PHE193, ARG196, GLY217, ASP219, TYR240, SER241 and 11 more
  • 4O28 · Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors · 1QS A601 · binds TYR188, HIS191, PHE193, ARG196, GLY217, ASP219, TYR240, SER241 and 11 more
  • 4KFO · Structure-based discovery of novel amide-containing nicotinamide… · 1QS A601 · binds TYR188, HIS191, PHE193, ARG196, GLY217, ASP219, TYR240, SER241 and 11 more
  • 4O28 · Structural basis for resistance to diverse classes of nampt inhibitors · 1QS A601 · binds TYR188, HIS191, PHE193, ARG196, GLY217, ASP219, TYR240, SER241 and 11 more

Residues it binds most

TYR 8, ALA 8, ARG 8, ASP 8, ILE 8, PRO 8, SER 8, HIS 8, PHE 8, VAL 8 (residue and the binding sites it lines).

Found with

  • PO4 · Phosphate ion
  • EDO · 1,2-ethanediol

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