PDBsum entry 2q2y

Cell cycle

PDB id: 2q2y

Contents

Protein chains

330 a.a.

Ligands

ADP ×2

MKR ×2

Metals

_MG ×2

Waters ×245

References listed in PDB file

Key reference

• Title: Kinesin spindle protein (ksp) inhibitors. Part 8: design and synthesis of 1,4-Diaryl-4,5-Dihydropyrazoles as potent inhibitors of the mitotic kinesin ksp.
• Authors: A.J.Roecker, P.J.Coleman, S.P.Mercer, J.D.Schreier, C.A.Buser, E.S.Walsh, K.Hamilton, R.B.Lobell, W.Tao, R.E.Diehl, V.J.South, J.P.Davide, N.E.Kohl, Y.Yan, L.C.Kuo, C.Li, C.Fernandez-Metzler, E.A.Mahan, T.Prueksaritanont, G.D.Hartman.
• Ref.: Bioorg Med Chem Lett, 2007, 17, 5677-5682. [DOI no: 10.1016/j.bmcl.2007.07.074]
• PubMed id: 17766111

Abstract

Inspired by previous efforts in the pyrazolobenzoxazine class of KSP inhibitors, the design and synthesis of 1,4-diaryl-4,5-dihydropyrazole inhibitors of KSP are described. Crystallographic evidence of binding mode and in vivo potency data is also highlighted.