Samo testing 1 #207 Output Download CSV
The docking scores are in the AutoDock Vina metric.
5HT1B_HUMAN
Docking Scores:
-8.19
-8.46
-8.22
Similarity Score:
30.37%
Best Match:
CHEMBL71091
5HT1B_HUMAN
Docking Scores:
-8.23
-9.04
-8.28
Similarity Score:
52.63%
Best Match:
CHEMBL29951
5HT2A_HUMAN
Docking Scores:
-8.06
-8.28
Similarity Score:
46.53%
Best Match:
CHEMBL415
5HT2A_HUMAN
Docking Scores:
-8.82
-7.97
Similarity Score:
51.96%
Best Match:
CHEMBL3695438
5HT2B_HUMAN
Docking Scores:
-8.22
-8.68
-8.66
Similarity Score:
46.53%
Best Match:
CHEMBL415
5HT2B_HUMAN
Docking Scores:
-8.43
-8.69
-8.74
Similarity Score:
51.06%
Best Match:
CHEMBL445106
5HT2C_HUMAN
Docking Scores:
-8.44
-8.58
Similarity Score:
46.53%
Best Match:
CHEMBL415
5HT2C_HUMAN
Docking Scores:
-8.41
-9.00
Similarity Score:
51.06%
Best Match:
CHEMBL445106
AA1R_HUMAN
Docking Scores:
-7.29
-7.36
-7.74
Similarity Score:
29.75%
Best Match:
CHEMBL2260644
AA1R_HUMAN
Docking Scores:
-7.66
-8.26
-4.65
Similarity Score:
29.96%
Best Match:
CHEMBL3317575
AA2AR_HUMAN
Docking Scores:
-7.76
-7.71
-8.16
Similarity Score:
34.91%
Best Match:
CHEMBL603094
AA2AR_HUMAN
Docking Scores:
-8.62
-9.48
-10.40
Similarity Score:
34.24%
Best Match:
CHEMBL559023
ACES_HUMAN
Docking Scores:
-8.71
-8.16
-9.38
Similarity Score:
35.43%
Best Match:
CHEMBL1085858
ACES_HUMAN
Docking Scores:
-9.76
-8.85
-8.78
Similarity Score:
66.01%
Best Match:
CHEMBL569978
ACE_HUMAN
Docking Scores:
-7.45
-7.41
-7.29
Similarity Score:
29.63%
Best Match:
CHEMBL23849
ACE_HUMAN
Docking Scores:
-8.53
-8.74
-7.71
Similarity Score:
37.12%
Best Match:
CHEMBL1165
ACM1_HUMAN
Docking Scores:
-8.76
-4.91
Similarity Score:
46.53%
Best Match:
CHEMBL415
ACM1_HUMAN
Docking Scores:
-10.02
3.46
Similarity Score:
45.66%
Best Match:
CHEMBL343236
ACM4_HUMAN
Docking Scores:
-8.67
-7.51
Similarity Score:
46.53%
Best Match:
CHEMBL415
ADRB2_HUMAN
Docking Scores:
-7.35
-8.61
-8.50
Similarity Score:
44.95%
Best Match:
CHEMBL154419
ADRB2_HUMAN
Docking Scores:
-7.41
-7.50
-8.85
Similarity Score:
43.26%
Best Match:
CHEMBL513389
AGTR2_HUMAN
Docking Scores:
-7.57
-7.50
-7.34
Similarity Score:
25.67%
Best Match:
CHEMBL40381
AGTR2_HUMAN
Docking Scores:
-8.15
-7.81
-7.80
Similarity Score:
42.67%
Best Match:
CHEMBL154057
ALDR_HUMAN
Docking Scores:
-7.93
-7.61
-7.76
Similarity Score:
35.23%
Best Match:
CHEMBL77283
ALDR_HUMAN
Docking Scores:
-7.87
-6.59
-7.12
Similarity Score:
32.54%
Best Match:
CHEMBL311679
AMPN_HUMAN
Docking Scores:
-7.15
-8.06
-7.99
Similarity Score:
29.69%
Best Match:
CHEMBL3764432
AMPN_HUMAN
Docking Scores:
-8.15
-8.23
-8.00
Similarity Score:
33.78%
Best Match:
CHEMBL1782887
AOFA_HUMAN
Docking Scores:
-8.04
-8.37
-8.67
Similarity Score:
35.65%
Best Match:
CHEMBL1642672
AOFA_HUMAN
Docking Scores:
-8.66
-9.39
-8.25
Similarity Score:
34.30%
Best Match:
CHEMBL4073457
AOFB_HUMAN
Docking Scores:
-8.49
-8.36
-8.88
Similarity Score:
36.44%
Best Match:
CHEMBL3319243
AOFB_HUMAN
Docking Scores:
-9.87
-8.60
-9.19
Similarity Score:
35.75%
Best Match:
CHEMBL4113794
BACE1_HUMAN
Docking Scores:
-6.69
-6.82
-7.46
Similarity Score:
33.06%
Best Match:
CHEMBL3627961
BACE1_HUMAN
Docking Scores:
-6.94
-7.39
-8.50
Similarity Score:
43.53%
Best Match:
CHEMBL3955763
CAH2_HUMAN
Docking Scores:
-7.31
-7.42
-7.15
Similarity Score:
44.58%
Best Match:
CHEMBL23832
CAH2_HUMAN
Docking Scores:
-7.53
-7.29
-6.77
Similarity Score:
40.44%
Best Match:
CHEMBL3786651
CASP1_HUMAN
Docking Scores:
-5.75
-6.77
-5.58
Similarity Score:
32.35%
Best Match:
CHEMBL78154
CASP1_HUMAN
Docking Scores:
-6.89
-7.24
-6.96
Similarity Score:
34.62%
Best Match:
CHEMBL3898379
CDK5_HUMAN
Docking Scores:
-7.33
-7.84
-8.35
Similarity Score:
46.43%
Best Match:
CHEMBL1991734
CDK5_HUMAN
Docking Scores:
-6.44
-6.87
-5.18
Similarity Score:
29.55%
Best Match:
CHEMBL422897
CHLE_HUMAN
Docking Scores:
-8.65
-8.20
-8.70
Similarity Score:
45.59%
Best Match:
CHEMBL3087676
CHLE_HUMAN
Docking Scores:
-9.46
-9.69
-9.90
Similarity Score:
43.52%
Best Match:
CHEMBL366411
CNR1_HUMAN
Docking Scores:
-7.80
-8.14
-8.82
Similarity Score:
46.55%
Best Match:
CHEMBL3936647
CNR1_HUMAN
Docking Scores:
-8.92
-8.18
-8.41
Similarity Score:
56.82%
Best Match:
CHEMBL303479
CNR2_HUMAN
Docking Scores:
-8.58
-8.70
Similarity Score:
38.18%
Best Match:
CHEMBL2326302
CNR2_HUMAN
Docking Scores:
-9.73
-9.02
Similarity Score:
56.82%
Best Match:
CHEMBL303479
COMT_HUMAN
Docking Scores:
-6.26
-6.12
-6.36
Similarity Score:
22.76%
Best Match:
CHEMBL1324
COMT_HUMAN
Docking Scores:
-6.29
-6.70
-5.75
Similarity Score:
22.70%
Best Match:
CHEMBL3819488
CXCR4_HUMAN
Docking Scores:
-7.70
-6.68
-7.09
Similarity Score:
28.18%
Best Match:
CHEMBL3908835
CXCR4_HUMAN
Docking Scores:
-7.80
-6.47
-7.22
Similarity Score:
33.92%
Best Match:
CHEMBL2029611
DRD4_HUMAN
Docking Scores:
-8.10
-8.17
Similarity Score:
38.84%
Best Match:
CHEMBL322326
DRD4_HUMAN
Docking Scores:
-7.98
-8.26
Similarity Score:
47.67%
Best Match:
CHEMBL132261
ESR1_HUMAN
Docking Scores:
-7.95
-7.67
-7.73
Similarity Score:
36.63%
Best Match:
CHEMBL3234617
ESR1_HUMAN
Docking Scores:
-9.00
-8.76
-8.75
Similarity Score:
44.56%
Best Match:
CHEMBL178559
FABP5_HUMAN
Docking Scores:
-7.55
-5.19
-5.40
Similarity Score:
34.48%
Best Match:
CHEMBL212860
FABP5_HUMAN
Docking Scores:
-8.76
-6.97
-6.27
Similarity Score:
30.54%
Best Match:
CHEMBL437489
GLRA3_HUMAN
Docking Scores:
-8.85
-8.83
-8.93
Similarity Score:
13.55%
Best Match:
CHEMBL4074873
GLRA3_HUMAN
Docking Scores:
-8.35
-8.10
-7.91
Similarity Score:
24.31%
Best Match:
CHEMBL4070615
GRM5_HUMAN
Docking Scores:
-7.67
-7.54
-6.82
Similarity Score:
37.01%
Best Match:
CHEMBL239594
GRM5_HUMAN
Docking Scores:
-7.11
-4.70
-4.34
Similarity Score:
33.15%
Best Match:
CHEMBL1289626
HPGDS_HUMAN
Docking Scores:
-7.28
-6.68
-7.62
Similarity Score:
30.18%
Best Match:
CHEMBL572528
HPGDS_HUMAN
Docking Scores:
-7.22
-6.78
-6.30
Similarity Score:
23.72%
Best Match:
CHEMBL3698265
HYES_HUMAN
Docking Scores:
-8.00
-8.24
-6.89
Similarity Score:
37.61%
Best Match:
CHEMBL478147
HYES_HUMAN
Docking Scores:
-8.21
-8.04
-8.05
Similarity Score:
42.70%
Best Match:
CHEMBL1672128
MIF_HUMAN
Docking Scores:
-6.09
-6.49
-5.81
Similarity Score:
25.89%
Best Match:
CHEMBL223319
MIF_HUMAN
Docking Scores:
-5.90
-6.55
-6.62
Similarity Score:
30.43%
Best Match:
CHEMBL2375651
MK01_HUMAN
Docking Scores:
-7.07
-7.62
-7.94
Similarity Score:
33.06%
Best Match:
CHEMBL2003341
MK01_HUMAN
Docking Scores:
-6.98
-7.80
-7.41
Similarity Score:
39.53%
Best Match:
CHEMBL555017
MK03_HUMAN
Docking Scores:
-7.75
-7.65
-7.67
Similarity Score:
25.49%
Best Match:
CHEMBL3798624
MK03_HUMAN
Docking Scores:
-6.44
-6.79
-7.50
Similarity Score:
39.53%
Best Match:
CHEMBL555017
MTOR_HUMAN
Docking Scores:
-7.87
-8.29
-8.13
Similarity Score:
37.76%
Best Match:
CHEMBL2348411
MTOR_HUMAN
Docking Scores:
-8.52
-8.62
-8.41
Similarity Score:
33.33%
Best Match:
CHEMBL4074753
NEP_HUMAN
Docking Scores:
-7.82
-6.90
-7.67
Similarity Score:
28.21%
Best Match:
CHEMBL225085
NEP_HUMAN
Docking Scores:
-8.18
-8.44
-7.97
Similarity Score:
38.24%
Best Match:
CHEMBL2062138
NK1R_HUMAN
Docking Scores:
-7.55
-8.35
-7.84
Similarity Score:
34.69%
Best Match:
CHEMBL92032
NK1R_HUMAN
Docking Scores:
-8.75
-7.09
-7.95
Similarity Score:
45.41%
Best Match:
CHEMBL2114439
NMDE1_HUMAN
Docking Scores:
-8.50
-8.80
-8.42
Similarity Score:
15.54%
Best Match:
CHEMBL2333945
NMDE1_HUMAN
Docking Scores:
-7.65
-7.73
-7.52
Similarity Score:
25.65%
Best Match:
CHEMBL284237
NMDE2_HUMAN
Docking Scores:
-8.62
-8.19
-9.62
Similarity Score:
25.53%
Best Match:
CHEMBL161977
NMDE2_HUMAN
Docking Scores:
-7.48
-9.52
-6.65
Similarity Score:
39.44%
Best Match:
CHEMBL3357783
NMDZ1_HUMAN
Docking Scores:
-8.66
-8.55
-8.42
Similarity Score:
28.82%
Best Match:
CHEMBL401253
NMDZ1_HUMAN
Docking Scores:
-7.65
-7.70
-7.52
Similarity Score:
20.81%
Best Match:
CHEMBL419399
NOS1_HUMAN
Docking Scores:
-8.26
-8.29
-8.68
Similarity Score:
34.82%
Best Match:
CHEMBL49881
NOS1_HUMAN
Docking Scores:
-8.04
-7.57
-8.70
Similarity Score:
34.50%
Best Match:
CHEMBL42968
NOS2_HUMAN
Docking Scores:
-7.09
-7.50
-8.02
Similarity Score:
34.82%
Best Match:
CHEMBL49881
NOS2_HUMAN
Docking Scores:
-6.89
-8.84
-7.90
Similarity Score:
34.50%
Best Match:
CHEMBL42968
NTRK1_HUMAN
Docking Scores:
-8.08
-8.11
-8.12
Similarity Score:
46.43%
Best Match:
CHEMBL1991734
NTRK1_HUMAN
Docking Scores:
-7.40
-8.00
-7.70
Similarity Score:
39.31%
Best Match:
CHEMBL444109
OPRD_HUMAN
Docking Scores:
-7.03
-6.28
-7.00
Similarity Score:
39.26%
Best Match:
CHEMBL1642757
OPRD_HUMAN
Docking Scores:
-7.14
-6.79
-7.36
Similarity Score:
100.00%
Best Match:
CHEMBL70
OPRK_HUMAN
Docking Scores:
-8.51
-8.39
-7.73
Similarity Score:
39.26%
Best Match:
CHEMBL1642757
OPRK_HUMAN
Docking Scores:
-9.06
-8.55
-7.70
Similarity Score:
100.00%
Best Match:
CHEMBL70
OPRM_MOUSE
Docking Scores:
-7.68
-7.10
Similarity Score:
30.19%
Best Match:
CHEMBL596
OPRX_HUMAN
Docking Scores:
-7.36
-7.11
-6.85
Similarity Score:
34.78%
Best Match:
CHEMBL317152
OPRX_HUMAN
Docking Scores:
-8.07
-7.12
-7.42
Similarity Score:
94.38%
Best Match:
CHEMBL3262362
P2RX3_HUMAN
Docking Scores:
-5.89
-4.93
-5.45
Similarity Score:
45.71%
Best Match:
CHEMBL3958199
P2RX3_HUMAN
Docking Scores:
-6.39
-5.93
-6.38
Similarity Score:
35.47%
Best Match:
CHEMBL3679847
P2Y12_HUMAN
Docking Scores:
-8.30
-6.08
-7.72
Similarity Score:
30.00%
Best Match:
CHEMBL223344
P2Y12_HUMAN
Docking Scores:
-6.65
-4.47
-6.12
Similarity Score:
28.47%
Best Match:
CHEMBL2172277
PDE4B_HUMAN
Docking Scores:
-8.10
-8.03
-8.13
Similarity Score:
51.82%
Best Match:
CHEMBL3315269
PDE4B_HUMAN
Docking Scores:
-8.01
-7.41
-8.38
Similarity Score:
45.95%
Best Match:
CHEMBL144499
PDE5A_HUMAN
Docking Scores:
-7.21
-8.35
-7.97
Similarity Score:
28.36%
Best Match:
CHEMBL332898
PDE5A_HUMAN
Docking Scores:
-7.82
-8.14
-8.24
Similarity Score:
31.75%
Best Match:
CHEMBL190423
PERM_HUMAN
Docking Scores:
-7.60
-7.78
-7.78
Similarity Score:
41.57%
Best Match:
CHEMBL686
PERM_HUMAN
Docking Scores:
-7.90
-7.96
-8.02
Similarity Score:
35.57%
Best Match:
CHEMBL490
PGH1_SHEEP
Docking Scores:
-6.22
-8.31
-8.48
Similarity Score:
100.00%
Best Match:
CHEMBL139
PGH1_SHEEP
Docking Scores:
-3.16
-7.62
-7.03
Similarity Score:
34.85%
Best Match:
CHEMBL229957
PGH2_HUMAN
Docking Scores:
-7.37
-7.98
-8.14
Similarity Score:
100.00%
Best Match:
CHEMBL139
PGH2_HUMAN
Docking Scores:
1.36
-6.24
-6.70
Similarity Score:
34.92%
Best Match:
CHEMBL13988
PPARG_HUMAN
Docking Scores:
-7.57
-7.17
-7.92
Similarity Score:
38.89%
Best Match:
CHEMBL167963
PPARG_HUMAN
Docking Scores:
-6.50
-5.87
-6.23
Similarity Score:
43.24%
Best Match:
CHEMBL1836977
PRGR_HUMAN
Docking Scores:
-8.19
-8.40
-7.81
Similarity Score:
45.87%
Best Match:
CHEMBL117612
PRGR_HUMAN
Docking Scores:
-9.04
-9.47
-8.73
Similarity Score:
40.72%
Best Match:
CHEMBL51933
SC6A4_HUMAN
Docking Scores:
-8.20
-8.33
-8.76
Similarity Score:
46.53%
Best Match:
CHEMBL415
SC6A4_HUMAN
Docking Scores:
-9.44
-9.20
-9.29
Similarity Score:
46.48%
Best Match:
CHEMBL434728
TLR4_HUMAN
Docking Scores:
-7.37
-7.23
-7.52
Similarity Score:
23.74%
Best Match:
CHEMBL2419459
TLR4_HUMAN
Docking Scores:
-8.26
-8.29
-7.17
Similarity Score:
37.84%
Best Match:
CHEMBL3261029
TRPV3_HUMAN
Docking Scores:
-6.34
-6.87
Similarity Score:
30.89%
Best Match:
CHEMBL3828278
TRPV3_HUMAN
Docking Scores:
-6.52
-7.86
Similarity Score:
44.88%
Best Match:
CHEMBL3664218
