target	class	name	#raw	#clus	#exp	#decoys	pdb_code	resolution	build_type	LogAUC	EF1	AUC
aa2ar	GPCR	Adenosine A2a receptor	3057	482	192	31550	3eml	2.60	byhand	28.37	21.8	83.39
abl1	Kinase	Tyrosine-protein kinase ABL	409	182	84	10750	2hzi	1.70	auto	26.11	19.2	81.03
ace	Protease	Angiotensin-converting enzyme	749	282	55	16900	3bkl	2.18	auto	22.31	19.5	71.59
aces	Other Enzymes	Acetylcholinesterase	1581	453	487	26250	1e66	2.10	auto	24.73	20.1	80.67
ada	Other Enzymes	Adenosine deaminase	98	93	42	5450	2e1w	2.50	auto	23.85	21.5	76.39
ada17	Protease	ADAM17	1341	532	31	35900	2oi0	2.00	byhand	25.65	21.8	76.89
adrb1	GPCR	Beta-1 adrenergic receptor	648	247	69	15850	2vt4	2.70	byhand	19.18	10.5	76.04
adrb2	GPCR	Beta-2 adrenergic receptor	602	231	118	15000	3ny8	2.84	auto	11.73	3.9	69.26
akt1	Kinase	Serine/threonine-protein kinase AKT	585	293	53	16450	3cqw	2.00	byhand	27.40	29.4	71.96
akt2	Kinase	Serine/threonine-protein kinase AKT2	234	117	23	6900	3d0e	2.00	byhand	16.00	7.7	76.72
aldr	Other Enzymes	Aldose reductase	604	159	78	9000	2hv5	1.59	auto	31.37	32.7	75.95
ampc	Other Enzymes	Beta-lactamase	48	48	84	2850	1l2s	1.94	byhand	15.92	8.3	78.92
andr	Nuclear Receptor	Androgen Receptor	1046	269	19	14350	2am9	1.64	auto	4.52	5.6	51.06
aofb	Other Enzymes	Monoamine oxidase B	438	122	129	6900	1s3b	1.65	byhand	16.94	8.2	75.18
bace1	Protease	Beta-secretase 1	595	283	41	18100	3l5d	1.75	auto	10.55	8.1	65.80
braf	Kinase	Serine/threonine-protein kinase B-raf	317	152	28	9950	3d4q	2.80	auto	21.81	11.2	83.32
cah2	Other Enzymes	Carbonic anhydrase II	1924	492	27	31172	1bcd	1.90	auto	12.14	3.3	73.27
casp3	Protease	Caspase-3	470	199	37	10700	2cnk	1.75	byhand	16.05	11.6	71.94
cdk2	Kinase	Cyclin-dependent kinase 2	1310	474	136	27850	1h00	1.60	byhand	20.83	13.9	79.10
comt	Other Enzymes	Catechol O-methyltransferase	41	41	1	3850	3bwm	1.98	byhand	33.96	22.0	88.71
cp2c9	Cytochrome P450	Cytochrome P450 2C9	145	120	176	7450	1r9o	2.00	byhand	7.45	2.5	59.85
cp3a4	Cytochrome P450	Cytochrome P450 3A4	302	170	267	11800	3nxu	2.00	byhand	6.83	2.4	63.07
csf1r	Kinase	Macrophage colony stimulating factor receptor	385	166	5	12150	3krj	2.10	byhand	32.38	25.3	86.10
cxcr4	GPCR	C-X-C chemokine receptor type 4	40	40	14	3406	3odu	2.50	byhand	36.12	17.5	90.18
def	Other Enzymes	Peptide deformylase	171	102	8	5700	1lru	2.10	byhand	22.84	21.6	69.47
dhi1	Other Enzymes	11-beta-hydroxysteroid dehydrogenase 1	836	387	29	19350	3frj	2.30	byhand	11.47	5.8	67.76
dpp4	Protease	Dipeptidyl peptidase IV	1939	533	167	40950	2i78	2.50	auto	41.22	40.7	87.13
drd3	GPCR	Dopamine D3 receptor	2113	480	14	34050	3pbl	2.89	byhand	12.78	4.4	69.40
dyr	Other Enzymes	Dihydrofolate reductase	1082	231	117	17200	3nxo	1.35	auto	43.29	43.7	86.82
egfr	Kinase	Epidermal growth factor receptor erbB1	1612	542	407	35050	2rgp	2.00	byhand	29.26	21.8	84.21
esr1	Nuclear Receptor	Estrogen receptor alpha	1297	383	136	20685	1sj0	1.90	auto	17.72	15.4	67.48
esr2	Nuclear Receptor	Estrogen receptor beta	1343	367	126	20199	2fsz	2.20	auto	18.83	18.0	64.62
fa10	Protease	Coagulation factor X	3090	537	176	28325	3kl6	1.45	auto	38.98	35.6	86.64
fa7	Protease	Coagulation factor VII	303	114	39	6250	1w7x	1.80	auto	55.57	65.8	87.89
fabp4	Miscellaneous	Fatty acid binding protein adipocyte	47	47	16	2750	2nnq	1.80	auto	46.03	42.6	90.47
fak1	Kinase	Focal adhesion kinase 1	101	100	11	5350	3bz3	2.20	auto	23.51	20.0	75.05
fgfr1	Kinase	Fibroblast growth factor receptor 1	327	139	146	8700	3c4f	2.07	auto	18.02	12.9	73.08
fkb1a	Other Enzymes	FK506-binding protein 1A	159	111	68	5800	1j4h	1.80	auto	15.54	9.0	74.69
fnta	Other Enzymes	Protein farnesyltransferase/geranylgeranyltransferase type I alpha subunit	1430	592	132	51500	3e37	1.80	byhand	15.53	7.3	76.34
fpps	Other Enzymes	Farnesyl diphosphate synthase	85	85	27	8850	1zw5	2.30	byhand	51.45	67.1	83.50
gcr	Nuclear Receptor	Glucocorticoid receptor	972	258	6	15000	3bqd	2.50	auto	3.65	8.9	43.92
glcm	Other Enzymes	Beta-glucocerebrosidase	54	54	27	3800	2v3f	1.95	auto	30.44	24.1	81.08
gria2	Ion Channel	Glutamate receptor ionotropic, AMPA 2	476	158	201	11845	3kgc	1.55	byhand	23.13	22.8	70.65
grik1	Ion Channel	Glutamate receptor ionotropic kainate 1	136	101	235	6550	1vso	1.85	auto	35.14	26.7	86.31
hdac2	Other Enzymes	Histone deacetylase 2	407	185	62	10300	3max	2.05	byhand	24.20	20.0	76.59
hdac8	Other Enzymes	Histone deacetylase 8	309	170	73	10450	3f07	3.30	byhand	28.51	24.1	79.91
hivint	Other Enzymes	Human immunodeficiency virus type 1 integrase	167	100	268	6650	3nf7	1.80	byhand	7.75	2.0	64.22
hivpr	Protease	Human immunodeficiency virus type 1 protease	1468	536	96	35750	1xl2	1.50	byhand	6.53	4.7	59.58
hivrt	Other Enzymes	Human immunodeficiency virus type 1 reverse transcriptase	1178	338	258	18891	3lan	2.55	auto	10.87	6.5	64.35
hmdh	Other Enzymes	HMG-CoA reductase	527	170	8	8750	3ccw	2.10	auto	25.92	23.5	73.56
hs90a	Miscellaneous	Heat shock protein HSP 90-alpha	88	88	25	4850	1uyg	2.00	byhand	14.61	3.4	69.43
hxk4	Other Enzymes	Hexokinase type IV	136	92	14	4700	3f9m	1.50	auto	25.32	17.4	80.23
igf1r	Kinase	Insulin-like growth factor I receptor	370	148	75	9300	2oj9	2.00	auto	17.62	5.4	79.10
inha	Other Enzymes	Enoyl-[acyl-carrier-protein] reductase	44	44	22	2300	2h7l	1.73	auto	19.31	2.3	84.66
ital	Miscellaneous	Leukocyte adhesion glycoprotein LFA-1 alpha	324	138	29	8500	2ica	1.56	auto	14.90	13.8	66.29
jak2	Kinase	Tyrosine-protein kinase JAK2	246	130	6	6500	3lpb	2.00	byhand	28.59	23.4	81.68
kif11	Miscellaneous	Kinesin-like protein 1	272	116	29	6850	3cjo	2.28	auto	34.47	34.5	76.89
kit	Kinase	Stem cell growth factor receptor	378	166	8	10450	3g0e	1.60	byhand	12.10	3.6	72.95
kith	Other Enzymes	Thymidine kinase	57	57	68	2850	2b8t	2.00	auto	14.57	0.0	80.22
kpcb	Kinase	Protein kinase C beta	331	135	153	8700	2i0e	2.60	byhand	14.64	17.0	61.06
lck	Kinase	Tyrosine-protein kinase LCK	916	420	148	27400	2of2	2.00	auto	25.39	16.2	81.61
lkha4	Protease	Leukotriene A4 hydrolase	343	171	21	9450	3chp	2.10	byhand	17.80	4.1	82.35
mapk2	Kinase	MAP kinase-activated protein kinase 2	184	101	81	6150	3m2w	2.41	byhand	33.49	26.7	86.39
mcr	Nuclear Receptor	Mineralocorticoid receptor	201	94	2	5150	2aa2	1.95	auto	-4.15	2.1	36.29
met	Kinase	Hepatocyte growth factor receptor	333	166	17	11250	3lq8	2.02	auto	23.64	15.7	79.81
mk01	Kinase	MAP kinase ERK2	79	79	35	4550	2ojg	2.00	auto	19.24	8.9	78.90
mk10	Kinase	c-Jun N-terminal kinase 3	199	104	23	6600	2zdt	2.00	auto	23.77	10.6	82.15
mk14	Kinase	MAP kinase p38 alpha	2205	578	73	35850	2qd9	1.70	auto	16.62	10.0	73.63
mmp13	Protease	Matrix metalloproteinase 13	1632	572	26	37200	830c	1.60	auto	11.97	4.9	70.56
mp2k1	Kinase	Dual specificity mitogen-activated protein kinase kinase 1	308	121	12	8150	3eqh	2.00	byhand	16.09	4.1	77.81
nos1	Other Enzymes	Nitric-oxide synthase, brain	311	100	73	8050	1qw6	2.10	byhand	19.22	11.0	78.01
nram	Other Enzymes	Neuraminidase	200	98	21	6200	1b9v	2.35	auto	43.95	45.9	93.00
pa2ga	Other Enzymes	Phospholipase A2 group IIA	173	99	14	5150	1kvo	2.00	byhand	26.12	29.3	72.05
parp1	Other Enzymes	Poly [ADP-ribose] polymerase-1	1031	508	12	30050	3l3m	2.50	byhand	25.18	20.9	78.74
pde5a	Other Enzymes	Phosphodiesterase 5A	958	398	93	27550	1udt	2.30	byhand	17.26	11.3	71.83
pgh1	Other Enzymes	Cyclooxygenase-1	534	195	1070	10800	2oyu	2.70	byhand	2.76	4.6	52.97
pgh2	Other Enzymes	Cyclooxygenase-2	1707	435	444	23150	3ln1	2.40	byhand	12.96	12.9	62.49
plk1	Kinase	Serine/threonine-protein kinase PLK1	227	107	46	6800	2owb	2.10	byhand	27.53	18.7	84.04
pnph	Other Enzymes	Purine nucleoside phosphorylase	225	103	10	6950	3bgs	2.10	auto	38.85	41.7	80.79
ppara	Nuclear Receptor	Peroxisome proliferator-activated receptor alpha	1040	373	82	19399	2p54	1.79	auto	19.21	4.8	80.55
ppard	Nuclear Receptor	Peroxisome proliferator-activated receptor delta	699	240	79	12250	2znp	3.00	auto	32.00	20.0	89.40
pparg	Nuclear Receptor	Peroxisome proliferator-activated receptor gamma	1245	484	43	25300	2gtk	2.10	byhand	20.54	12.0	79.54
prgr	Nuclear Receptor	Progesterone receptor	1114	293	1	15650	3kba	2.00	auto	8.43	7.8	56.37
ptn1	Other Enzymes	Protein-tyrosine phosphatase 1B	264	130	153	7250	2azr	2.00	auto	35.53	30.0	83.92
pur2	Other Enzymes	GAR transformylase	50	50	12	2700	1njs	1.98	auto	50.54	50.0	91.92
pygm	Other Enzymes	Muscle glycogen phosphorylase	77	77	7	3950	1c8k	1.76	byhand	17.18	9.1	72.45
pyrd	Other Enzymes	Dihydroorotate dehydrogenase	226	111	88	6450	1d3g	1.60	auto	29.51	27.9	82.52
reni	Protease	Renin	391	104	46	6958	3g6z	2.00	auto	20.68	19.2	66.03
rock1	Kinase	Rho-associated protein kinase 1	216	100	15	6300	2etr	2.60	auto	16.69	10.0	73.64
rxra	Nuclear Receptor	Retinoid X receptor alpha	298	131	7	6950	1mv9	1.90	auto	25.46	24.4	71.30
sahh	Other Enzymes	Adenosylhomocysteinase	63	63	5	3450	1li4	2.01	auto	39.19	33.3	84.96
src	Kinase	Tyrosine-protein kinase SRC	1269	524	287	34500	3el8	2.30	byhand	18.01	8.6	77.20
tgfr1	Kinase	TGF-beta receptor type I	235	133	7	8500	3hmm	1.70	auto	35.92	27.8	87.52
thb	Nuclear Receptor	Thyroid hormone receptor beta-1	246	103	29	7450	1q4x	2.80	auto	36.27	37.9	79.16
thrb	Protease	Thrombin	2109	461	255	27004	1ype	1.81	byhand	31.80	30.4	81.26
try1	Protease	Trypsin I	924	449	117	25980	2ayw	0.97	auto	56.67	61.5	93.41
tryb1	Protease	Tryptase beta-1	216	148	16	7650	2zec	2.06	auto	36.80	31.1	86.90
tysy	Other Enzymes	Thymidylate synthase	390	109	63	6750	1syn	2.00	byhand	27.81	21.1	82.16
urok	Protease	Urokinase-type plasminogen activator	372	162	44	9850	1sqt	1.90	auto	65.06	71.6	95.44
vgfr2	Kinase	Vascular endothelial growth factor receptor 2	2320	409	142	24950	2p2i	2.40	auto	20.51	11.7	79.47
wee1	Kinase	Serine/threonine-protein kinase WEE1	221	102	15	6150	3biz	2.20	auto	51.81	54.9	91.04
xiap	Miscellaneous	Inhibitor of apoptosis protein 3	100	100	7	5150	3hl5	1.80	byhand	52.11	55.0	88.08