PDBsum entry 3f7b

Lyase

PDB id: 3f7b

Contents

Protein chain

257 a.a.

Ligands

AG5 ×2

Metals

_ZN ×2

Waters ×263

References listed in PDB file

Key reference

• Title: Thioether benzenesulfonamide inhibitors of carbonic anhydrases ii and IV: structure-Based drug design, Synthesis, And biological evaluation.
• Authors: W.Vernier, W.Chong, D.Rewolinski, S.Greasley, T.Pauly, M.Shaw, D.Dinh, R.A.Ferre, J.W.Meador, S.Nukui, M.Ornelas, R.L.Paz, E.Reyner.
• Ref.: Bioorg Med Chem Lett, 2010, 18, 3307-3319.
• PubMed id: 20363633

Abstract

A novel series of potent thioether benzenesulfonamide inhibitors of carbonic anhydrases II and IV was discovered using structure-based drug design. Synthesis, structure-activity relationship, and optimization of physicochemical properties are described. Low nanomolar potency was achieved, and selected compounds with improved thermodynamic solubility showed promising in vitro inhibition of carbonic anhydrase activity in rabbit iris ciliary body homogenate.