Molecular Targets Already Used or Suitable for Use in FBDD © IOTA Pharmaceuticals Ltd
Target	Reference
Abl kinase	A decade of fragment-based drug design: strategic advances and lessons learned.
Adipocyte lipid-binding protein-2 (aP2)	Leveraging structural approaches: applications of NMR-based screening and X-ray crystallography for inhibitor design.
Anthrax lethal factor	Efficient synthetic inhibitors of anthrax lethal factor.
v-akt murine thymoma viral oncogene homolog-1 (AKT-1)	A decade of fragment-based drug design: strategic advances and lessons learned.
Aurora kinases	Identification of a lead small-molecule inhibitor of the Aurora kinases using a structure-assisted, fragment-based approach.
BACE-1 (beta-site APP-cleaving enzyme-1; beta-secretase)	Application of Fragment Screening by X-ray Crystallography to beta-Secretase.
BACE-1 (beta-site APP-cleaving enzyme-1; beta-secretase)	Application of fragment screening by X-ray crystallography to the discovery of aminopyridines as inhibitors of beta-secretase.
B-cell CLL/lymphoma 2 (BCL-2), BCL-2-like 1 (BCL-XL)	An inhibitor of Bcl-2 family proteins induces regression of solid tumours.
Carbonic anhydrase	Fragment-based drug discovery of carbonic anhydrase II inhibitors by dynamic combinatorial chemistry utilizing alkene cross metathesis.
Casein kinase-2 (CK2)	A decade of fragment-based drug design: strategic advances and lessons learned.
Caspase 1	Structural analysis of caspase-1 inhibitors derived from Tethering.
Caspase 3	Identification of potent and selective small-molecule inhibitors of caspase-3 through the use of extended tethering and structure-based drug design.
Cathepsin S	Identification of selective, nonpeptidic nitrile inhibitors of cathepsin s using the substrate activity screening method.
CDKs	Fragment screening: an introduction.
CDKs	Fragment-based lead discovery using X-ray crystallography.
Checkpoint kinase-1 (CHK1)	A decade of fragment-based drug design: strategic advances and lessons learned.
Dihydrofolate reductase	Screening for dihydrofolate reductase inhibitors using MOLPRINT 2D, a fast fragment-based method employing the naive Bayesian classifier: limitations of the descriptor and the importance of balanced chemistry in training and test sets.
Dihydroneopterin aldolase (DHNA)	Discovery of potent inhibitors of dihydroneopterin aldolase using CrystaLEAD high-throughput X-ray crystallographic screening and structure-directed lead optimization.
DNA Gyrase	In silico fragment-based discovery of indolin-2-one analogues as potent DNA gyrase inhibitors.
Factor VIIa	Custom chemical microarray production and affinity fingerprinting for the S1 pocket of factor VIIa.
FK506-binding protein (FKBP)	Discovering high-affinity ligands for proteins: SAR by NMR.
FMS/KIT	A decade of fragment-based drug design: strategic advances and lessons learned.
Galactosyltransferase	Fragment-based screening of the donor substrate specificity of human blood group B galactosyltransferase using saturation transfer difference NMR.
Hepatitis C virus (HCV) polymerase	A decade of fragment-based drug design: strategic advances and lessons learned.
Heat shock protein-90 (HSP90)	A decade of fragment-based drug design: strategic advances and lessons learned.
HepC NS3 protease	Non-peptidic small-molecule inhibitors of the single-chain hepatitis C virus NS3 protease/NS4A cofactor complex discovered by structure-based NMR screening.
HIV-1 reverse transcriptase	A fluorescence-based high-throughput screening assay for inhibitors of human immunodeficiency virus-1 reverse transcriptase-associated ribonuclease H activity.
3α-Hydroxysteroid dehydrogenase (3α-HSD)	A decade of fragment-based drug design: strategic advances and lessons learned.
Interleukin-2	Discovery of a potent small molecule IL-2 inhibitor through fragment assembly.
JAK-2 kinase	A decade of fragment-based drug design: strategic advances and lessons learned.
Kinase insert domain receptor (KDR)	A decade of fragment-based drug design: strategic advances and lessons learned.
c-Jun N-terminal kinase-2 (JNK2)	A decade of fragment-based drug design: strategic advances and lessons learned.
Jun kinase-3 (JNK3)	Leveraging structural approaches: applications of NMR-based screening and X-ray crystallography for inhibitor design.
Leukocyte function-associated antigen-1 (LFA)	Novel p-arylthio cinnamides as antagonists of leukocyte function-associated antigen-1/intracellular adhesion molecule-1 interaction. 2. Mechanism of inhibition and structure-based improvement of pharmaceutical properties.
Malic enzyme	In silico design and synthesis of piperazine-1-pyrrolidine-2,5-dione scaffold-based novel malic enzyme inhibitors.
Mouse double minute-2 (MDM2)	A decade of fragment-based drug design: strategic advances and lessons learned.
Metalloproteinases	Novel matrix metalloproteinase inhibitors: generation of lead compounds by the in silico fragment-based approach.
Metalloproteinases	Phenoxyphenyl sulfone N-formylhydroxylamines (retrohydroxamates) as potent, selective, orally bioavailable matrix metalloproteinase inhibitors.
p38alpha MAP kinase	Fragment-based lead discovery using X-ray crystallography.
p38alpha MAP kinase	Identification of novel p38alpha MAP kinase inhibitors using fragment-based lead generation.
Methionine aminopeptidase-2 (MetAP2)	A decade of fragment-based drug design: strategic advances and lessons learned.
Phosphoinositide-dependent protein kinase-1 (PDK1)	A decade of fragment-based drug design: strategic advances and lessons learned.
Peroxisome proliferator-activated receptor (PPAR)	A decade of fragment-based drug design: strategic advances and lessons learned.
Phosphodiesterases	A family of phosphodiesterase inhibitors discovered by cocrystallography and scaffold-based drug design.
Poly (ADP-ribose) polymerase (PARP)	A decade of fragment-based drug design: strategic advances and lessons learned.
Protein kinase B	Identification of Inhibitors of Protein Kinase B Using Fragment-Based Lead Discovery.
Protein kinase B	Rapid Evolution of 6-Phenylpurine Inhibitors of Protein Kinase B through Structure-Based Design.
Protein-protein interactions	NMR fragment screening: tackling protein-protein interaction targets.
Protein tyrosine phosphatase-1B (PTP-1B)	Fragment-based lead discovery using X-ray crystallography.
Protein tyrosine phosphatase-1B (PTP-1B)	Fragment screening and assembly: a highly efficient approach to a selective and cell active protein tyrosine phosphatase 1B inhibitor.
Protein tyrosine phosphatase-1B (PTP-1B)	Discovery of a potent, selective protein tyrosine phosphatase 1B inhibitor using a linked-fragment strategy.
Oncogenic v-raf murine sarcoma viral oncogene homolog B1 (B-Raf)	A decade of fragment-based drug design: strategic advances and lessons learned.
Regulatory erythroid kinase (REDK)	A decade of fragment-based drug design: strategic advances and lessons learned.
Ribonuclease A	Fragment-based lead discovery using X-ray crystallography.
Survivin	A decade of fragment-based drug design: strategic advances and lessons learned.
Thrombin	Fragment-based lead discovery using X-ray crystallography.
Thrombin	Application of fragment screening and fragment linking to the discovery of novel thrombin inhibitors.
SH2 domain of (pp60)Src	SAR and X-ray. A new approach combining fragment-based screening and rational drug design: application to the discovery of nanomolar inhibitors of Src SH2.
SH2 domain of (pp60)Src	Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors.
v-Src	Identification of novel fragment compounds targeted against the pY pocket of v-Src SH2 by computational and NMR screening and thermodynamic evaluation.
SYK	A decade of fragment-based drug design: strategic advances and lessons learned.
ZipA/FtsZ complex	Discovery of novel inhibitors of the ZipA/FtsZ complex by NMR fragment screening coupled with structure-based design.