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Ligand · 1AO

1AO · 2-(1H-indazol-1-yl)-N-[2-(piperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide

1AO, 2-(1H-indazol-1-yl)-N-[2-(piperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide (C21 H20 N6 O S, 404.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the…

Component
1AO
Formula
C21 H20 N6 O S
Class
ligand
Structures
2
PDB entries
1

Binding sites

1AO in 2 structures; the first of them:

  • 4HYI · X-RAY Crystal structure of compound 40 bound to human chk1 kinase domain · 1AO A304 · binds LEU15, TYR20, VAL23, ALA36, LYS38, GLU55, VAL68, LEU84 and 10 more
  • 4HYI · X-ray crystal structure of compound 40 bound to human CHK1 kinase domain · 1AO A304 · binds LEU15, TYR20, VAL23, ALA36, LYS38, GLU55, VAL68, LEU84 and 10 more

Residues it binds most

GLU 2, LEU 2, TYR 2, VAL 2, ALA 2, ASN 2, ASP 2, CYS 2, GLY 2, LYS 2 (residue and the binding sites it lines).

Found with

  • GOL · Glycerol

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