PDBsum entry 3dcv

Transferase

PDB id: 3dcv

Contents

Protein chain

274 a.a.

Ligands

55E

Waters ×98

References listed in PDB file

Key reference

• Title: 4-(1h-Indazol-5-Yl)-6-Phenylpyrimidin-2(1h)-One analogs as potent cdc7 inhibitors.
• Authors: C.M.Shafer, M.Lindvall, C.Bellamacina, T.G.Gesner, A.Yabannavar, W.Jia, S.Lin, A.Walter.
• Ref.: Bioorg Med Chem Lett, 2008, 18, 4482-4485. [DOI no: 10.1016/j.bmcl.2008.07.061]
• PubMed id: 18672368

Abstract

A series of 4-(4-hydroxyphenyl)-6-phenylpyrimidin-2(1H)-ones were identified by HTS as inhibitors of CDC7. Molecular modeling and medicinal chemistry techniques were employed to explore the SAR for this series with a focus on removing potential metabolic liabilities and improving cellular potency.