PDBsum entry 2vwx

Transferase

PDB id: 2vwx

Contents

Protein chain

274 a.a.

Ligands

7X4

Metals

_MG ×4

Waters ×274

References listed in PDB file

Key reference

• Title: Inhibitors of the tyrosine kinase ephb4. Part 2: structure-Based discovery and optimisation of 3,5-Bis substituted anilinopyrimidines.
• Authors: C.Bardelle, T.Coleman, D.Cross, S.Davenport, J.G.Kettle, E.J.Ko, A.G.Leach, A.Mortlock, J.Read, N.J.Roberts, P.Robins, E.J.Williams.
• Ref.: Bioorg Med Chem Lett, 2008, 18, 5717-5721.
• PubMed id: 18851911

Abstract

Crystallographic studies of a range of 3-substituted anilinopyrimidine inhibitors of EphB4 have highlighted two alternative C-2 aniline conformations and this discovery has been exploited in the design of a highly potent series of 3,5-disubstituted anilinopyrimidines. The observed range of cellular activities has been rationalised on the basis of physicochemical and structural characteristics.

Secondary reference #1

• Title: Inhibitors of the tyrosine kinase ephb4. Part 1: structure-Based design and optimization of a series of 2,4-Bis-Anilinopyrimidines.
• Authors: C.Bardelle, D.Cross, S.Davenport, J.G.Kettle, E.J.Ko, A.G.Leach, A.Mortlock, J.Read, N.J.Roberts, P.Robins, E.J.Williams.
• Ref.: Bioorg Med Chem Lett, 2008, 18, 2776-2780.
• PubMed id: 18434142