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Ligand · 071

071 · 8-{[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]amino}-1-methyl-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide

071, 8-{[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]amino}-1-methyl-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide (C23 H28 N8 O2, 448.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
071
Formula
C23 H28 N8 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

071 in 2 structures; the first of them:

  • 3KB7 · Crystal structure of Polo-like kinase 1 in complex with a pyrazoloquinazoline inhibitor · 071 A1 · binds LEU59, GLY60, CYS67, ALA80, LYS82, VAL114, LEU130, GLU131 and 11 more
  • 3KB7 · Crystal structure of polo-like kinase 1 in complex with a pyrazoloquinazoline inhibitor · 071 A1 · binds LEU59, GLY60, CYS67, ALA80, LYS82, VAL114, LEU130, GLU131 and 11 more

Residues it binds most

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

Found with

  • ZN · Zinc ion
  • TLA · L(+)-tartaric acid

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