Table 5.

Acidic functional groups present in chemogenomics datasets and screening compound libraries.

Dataset	Number of Compounds	Percentage of dataset
		Carboxylate	Heterocyclic nitrogen	Hydrox- amate	Phenol	Sulfonamide	Others
Drugs	3766	16.8	3.7	0.3	8.3	3.3	6.5
Aspartyl proteases	4300	4.2	0.4	0.1	12.5	8.3	10.2
Cysteine proteases	2503	13.3	2.7	0.5	1.7	3.5	3.2
GPCR amines	20712	1.2	1.2	0.1	6.3	3.5	0.8
GPCR cannabinoid	1510	0.3	0.4	0.1	13.6	0.1	2.7
GPCR nucleotide	5228	2.1	16.3	0.1	1.5	0.2	15.6
GPCR class A other	1972	3.2	3.5	0.8	4.9	1.3	4.6
GPCR peptide	19602	19.4	1.5	0.1	10.9	6.8	7.3
GPCR prostaglandin	1399	83.8	0.1	0.1	4.0	9.7	2.6
GPCR class B	1391	3.5	0.0	0.0	8.6	0.0	3.2
GPCR class C	1093	27.5	1.4	0.0	4.5	0.2	14.0
Integrins	3300	91.8	1.0	0.0	3.8	3.5	7.7
Ligand-gated ion channel	7357	9.1	7.2	0.1	7.8	0.5	4.4
Voltage-gated ion channel	2761	3.5	2.9	0.0	2.1	1.6	3.0
Ion channel - other	1263	6.8	1.8	0.4	15.6	8.0	9.5
Tyrosine kinases	4229	2.8	3.9	1.6	7.1	0.2	9.6
Kinases – non tyrosine	5635	2.6	16.9	0.4	7.2	0.9	4.7
Metalloproteases	2024	35.7	0.9	56.8	4.5	5.8	15.3
Nuclear receptors	6571	28.9	3.1	0.0	29.2	0.9	2.2
Oxido reductases	5744	23.7	4.0	0.1	4.5	0.2	5.3
Oxygenases	3890	16.5	0.6	7.2	7.1	3.5	1.2
Phosphodiesterases	2555	4.9	8.9	3.1	2.2	0.4	8.8
Serine proteases	5793	13.2	1.5	0.1	6.4	6.4	9.1
Transporters	5240	4.7	0.0	0.0	1.8	0.1	1.0
Unknown targets	22298	14.4	6.7	1.2	8.7	1.7	7.1
Vendors – drug-like clean	6676776	2.4	2.6	0.0	1.8	4.5	5.6
Vendors – clean leads	1716660	3.3	2.7	0.0	1.9	3.2	5.0
‘Natural’ products	89425	13.8	2.8	0.0	8.4	0.7	3.4

Values are calculated by dividing the number of times the functional group is encountered by the total number of compounds and expressed as a percentage.