test #573 Output Download CSV

View Paged
Gene Protein
 
  The docking scores are in the AutoDock Vina metric.
5HT1A_HUMAN

Docking Scores:
-6.06 -5.89 -6.23
Similarity Score:
44.07%
Best Match:
CHEMBL4648489
Prediction Result:
Active53.41%

5HT1B_HUMAN

Docking Scores:
-6.66 -6.61 -6.57
Similarity Score:
52.27%
Best Match:
CHEMBL73281
Prediction Result:
N/A

5HT1D_HUMAN

Docking Scores:
-6.42 -6.26 -6.91
Similarity Score:
52.27%
Best Match:
CHEMBL73281
Prediction Result:
N/A

5HT1E_HUMAN

Docking Scores:
-6.39 -6.76 -6.52
Similarity Score:
26.14%
Best Match:
CHEMBL4092027
Prediction Result:
Inactive58.40%

5HT1F_HUMAN

Docking Scores:
-6.42 -6.72 -6.59
Similarity Score:
26.14%
Best Match:
CHEMBL4092027
Prediction Result:
Inactive75.82%

5HT2A_HUMAN

Docking Scores:
-6.84 -6.41
Similarity Score:
65.00%
Best Match:
CHEMBL445747
Prediction Result:
N/A

5HT2B_HUMAN

Docking Scores:
-7.01 -6.64 -7.01
Similarity Score:
70.00%
Best Match:
CHEMBL475643
Prediction Result:
N/A

5HT2C_HUMAN

Docking Scores:
-6.93 -6.77
Similarity Score:
70.00%
Best Match:
CHEMBL475643
Prediction Result:
N/A

5HT4R_HUMAN

Docking Scores:
-7.06 -7.01 -6.76
Similarity Score:
27.16%
Best Match:
CHEMBL4567394
Prediction Result:
Inactive64.11%

5HT5A_HUMAN

Docking Scores:
-6.40 -6.32 -6.32
Similarity Score:
31.82%
Best Match:
CHEMBL161507
Prediction Result:
Inactive56.61%

5HT6R_HUMAN

Docking Scores:
-5.92 -5.95 -6.51
Similarity Score:
47.37%
Best Match:
CHEMBL17157
Prediction Result:
Inactive57.22%

5HT7R_HUMAN

Docking Scores:
-6.19 -6.63 -6.20
Similarity Score:
44.68%
Best Match:
CHEMBL234885
Prediction Result:
Active57.97%

AA1R_HUMAN

Docking Scores:
-6.29 -6.79 -6.91
Similarity Score:
28.24%
Best Match:
CHEMBL103150
Prediction Result:
N/A

AA2AR_HUMAN

Docking Scores:
-6.88 -6.79 -6.66
Similarity Score:
29.23%
Best Match:
CHEMBL496
Prediction Result:
N/A

AA2BR_HUMAN

Docking Scores:
-6.08 -6.18 -5.75
Similarity Score:
22.92%
Best Match:
CHEMBL67949
Prediction Result:
Inactive59.24%

AA3R_HUMAN

Docking Scores:
-7.43 -7.14 -6.17
Similarity Score:
29.23%
Best Match:
CHEMBL496
Prediction Result:
Active56.08%

ACM1_HUMAN

Docking Scores:
-6.96 -7.23
Similarity Score:
46.43%
Best Match:
CHEMBL936
Prediction Result:
N/A

ACM2_HUMAN

Docking Scores:
-6.63 -6.15 -6.80
Similarity Score:
46.43%
Best Match:
CHEMBL936
Prediction Result:
Active58.58%

ACM3_HUMAN

Docking Scores:
-5.62 -6.55 -6.80
Similarity Score:
46.43%
Best Match:
CHEMBL936
Prediction Result:
Inactive52.65%

ACM4_HUMAN

Docking Scores:
-6.98 -6.92
Similarity Score:
46.43%
Best Match:
CHEMBL936
Prediction Result:
N/A

ACM5_HUMAN

Docking Scores:
-6.76 -6.32 -6.70
Similarity Score:
46.43%
Best Match:
CHEMBL936
Prediction Result:
Inactive53.62%

ACTHR_HUMAN

Docking Scores:
-8.57 -8.30 -7.16
Similarity Score:
N/A
Best Match:
N/A
Prediction Result:
N/A

ADA1D_HUMAN

Docking Scores:
-6.28 -6.40 -5.96
Similarity Score:
38.33%
Best Match:
CHEMBL926
Prediction Result:
Active66.70%

ADA2A_HUMAN

Docking Scores:
-7.06 -7.00 -6.14
Similarity Score:
65.79%
Best Match:
CHEMBL61006
Prediction Result:
Active95.10%

ADA2B_HUMAN

Docking Scores:
-7.31 -7.42 -7.10
Similarity Score:
44.68%
Best Match:
CHEMBL972
Prediction Result:
Active68.84%

ADA2C_HUMAN

Docking Scores:
-6.96 -6.04 -6.42
Similarity Score:
47.37%
Best Match:
CHEMBL17157
Prediction Result:
Active70.66%

ADRB1_HUMAN

Docking Scores:
-6.41 -6.63 -6.41
Similarity Score:
39.39%
Best Match:
CHEMBL566777
Prediction Result:
Inactive56.62%

ADRB2_HUMAN

Docking Scores:
-6.89 -7.07 -7.03
Similarity Score:
41.94%
Best Match:
CHEMBL566992
Prediction Result:
N/A

ADRB3_HUMAN

Docking Scores:
-7.02 -7.43 -7.03
Similarity Score:
38.46%
Best Match:
CHEMBL1437
Prediction Result:
N/A

AGTR2_HUMAN

Docking Scores:
-6.63 -6.78 -6.46
Similarity Score:
25.49%
Best Match:
CHEMBL219840
Prediction Result:
N/A

BKRB2_HUMAN

Docking Scores:
-6.43 -6.72 -6.63
Similarity Score:
30.30%
Best Match:
CHEMBL121565
Prediction Result:
Inactive85.98%

CALCR_HUMAN

Docking Scores:
-6.08 -6.03 -6.48
Similarity Score:
16.99%
Best Match:
CHEMBL4575327
Prediction Result:
Inactive86.41%

CCKAR_HUMAN

Docking Scores:
-6.28 -6.63 -7.25
Similarity Score:
19.30%
Best Match:
CHEMBL1210154
Prediction Result:
Inactive94.14%

CCR1_HUMAN

Docking Scores:
-7.45 -7.14 -6.00
Similarity Score:
39.39%
Best Match:
CHEMBL140270
Prediction Result:
Inactive98.61%

CCR2_HUMAN

Docking Scores:
-6.44 -6.20 -5.95
Similarity Score:
37.84%
Best Match:
CHEMBL3752640
Prediction Result:
Inactive99.11%

CCR4_HUMAN

Docking Scores:
-5.39 -6.00 -6.81
Similarity Score:
21.18%
Best Match:
CHEMBL1623307
Prediction Result:
Inactive83.09%

CCR5_HUMAN

Docking Scores:
-6.30 -6.51 -6.27
Similarity Score:
47.37%
Best Match:
CHEMBL17157
Prediction Result:
Inactive98.48%

CLTR1_HUMAN

Docking Scores:
-6.87 -7.85 -7.17
Similarity Score:
27.78%
Best Match:
CHEMBL22776
Prediction Result:
Inactive91.94%

CNR1_HUMAN

Docking Scores:
-6.47 -6.92 -7.01
Similarity Score:
53.85%
Best Match:
CHEMBL233182
Prediction Result:
N/A

CNR2_HUMAN

Docking Scores:
-6.97 -6.90
Similarity Score:
71.05%
Best Match:
CHEMBL408777
Prediction Result:
N/A

CXCR1_HUMAN

Docking Scores:
-6.61
Similarity Score:
36.51%
Best Match:
CHEMBL191413
Prediction Result:
N/A

CXCR2_HUMAN

Docking Scores:
-6.88 -5.27 -5.29
Similarity Score:
36.51%
Best Match:
CHEMBL191413
Prediction Result:
Inactive60.29%

CXCR3_HUMAN

Docking Scores:
-6.95 -6.83 -6.87
Similarity Score:
29.79%
Best Match:
CHEMBL3898146
Prediction Result:
Inactive99.02%

CXCR4_HUMAN

Docking Scores:
-7.23 -5.25 -6.23
Similarity Score:
29.17%
Best Match:
CHEMBL4440964
Prediction Result:
N/A

DRD1_HUMAN

Docking Scores:
-6.73 -6.40 -6.30
Similarity Score:
39.13%
Best Match:
CHEMBL59
Prediction Result:
Inactive64.75%

DRD2_HUMAN

Docking Scores:
-6.89
Similarity Score:
47.37%
Best Match:
CHEMBL93101
Prediction Result:
N/A

DRD3_HUMAN

Docking Scores:
-7.03
Similarity Score:
50.00%
Best Match:
CHEMBL93234
Prediction Result:
N/A

DRD4_HUMAN

Docking Scores:
-6.46 -6.70
Similarity Score:
42.62%
Best Match:
CHEMBL334989
Prediction Result:
N/A

DRD5_HUMAN

Docking Scores:
-6.98 -6.86 -6.66
Similarity Score:
39.13%
Best Match:
CHEMBL59
Prediction Result:
Inactive88.60%

EDNRA_HUMAN

Docking Scores:
-5.00 -5.19 -6.52
Similarity Score:
37.31%
Best Match:
CHEMBL290026
Prediction Result:
Inactive86.62%

GABR1_HUMAN

Docking Scores:
-6.80 -7.15 -7.45
Similarity Score:
20.56%
Best Match:
CHEMBL2391908
Prediction Result:
Inactive92.53%

GASR_HUMAN

Docking Scores:
-6.03 -6.03 -4.99
Similarity Score:
27.06%
Best Match:
CHEMBL38874
Prediction Result:
Inactive92.14%

GRM1_HUMAN

Docking Scores:
-7.18 -7.04 -7.16
Similarity Score:
35.21%
Best Match:
CHEMBL254372
Prediction Result:
Inactive70.02%

GRM2_HUMAN

Docking Scores:
-7.49 -8.16 -7.85
Similarity Score:
43.33%
Best Match:
CHEMBL124501
Prediction Result:
Active66.39%

GRM3_HUMAN

Docking Scores:
-8.40 -8.44 -8.09
Similarity Score:
43.33%
Best Match:
CHEMBL124501
Prediction Result:
Active61.09%

GRM4_HUMAN

Docking Scores:
-5.82 -5.53 -5.72
Similarity Score:
20.83%
Best Match:
CHEMBL4242079
Prediction Result:
Inactive95.33%

GRM5_HUMAN

Docking Scores:
-7.02 -7.66 -7.58
Similarity Score:
45.90%
Best Match:
CHEMBL1682794
Prediction Result:
N/A

GRM6_HUMAN

Docking Scores:
-7.34 -7.42 -7.27
Similarity Score:
14.88%
Best Match:
CHEMBL566136
Prediction Result:
Inactive97.75%

GRM7_HUMAN

Docking Scores:
-6.52 -6.54 -6.89
Similarity Score:
32.69%
Best Match:
CHEMBL1387826
Prediction Result:
Inactive99.99%

GRM8_HUMAN

Docking Scores:
-6.39 -6.64 -6.26
Similarity Score:
34.78%
Best Match:
CHEMBL143210
Prediction Result:
Inactive98.40%

HRH1_HUMAN

Docking Scores:
-7.33
Similarity Score:
51.92%
Best Match:
CHEMBL572034
Prediction Result:
N/A

HRH2_HUMAN

Docking Scores:
-7.85 -6.77 -7.64
Similarity Score:
37.29%
Best Match:
CHEMBL21731
Prediction Result:
Active91.62%

HRH3_HUMAN

Docking Scores:
-6.37 -6.05 -6.26
Similarity Score:
46.94%
Best Match:
CHEMBL272140
Prediction Result:
Active94.73%

HRH4_HUMAN

Docking Scores:
-6.34 -5.85 -6.19
Similarity Score:
37.33%
Best Match:
CHEMBL489493
Prediction Result:
Active60.63%

MC3R_HUMAN

Docking Scores:
-7.12 -6.80 -6.83
Similarity Score:
26.00%
Best Match:
CHEMBL272099
Prediction Result:
Inactive77.60%

MC4R_HUMAN

Docking Scores:
-5.26 -5.20 -6.47
Similarity Score:
40.00%
Best Match:
CHEMBL195998
Prediction Result:
Inactive59.98%

MC5R_HUMAN

Docking Scores:
-5.71 -6.71 -5.32
Similarity Score:
23.53%
Best Match:
CHEMBL1093304
Prediction Result:
Inactive78.84%

MSHR_HUMAN

Docking Scores:
-6.81 -6.07 -6.25
Similarity Score:
25.77%
Best Match:
CHEMBL1091631
Prediction Result:
Inactive77.53%

NK1R_HUMAN

Docking Scores:
-6.43 -6.66 -6.18
Similarity Score:
45.61%
Best Match:
CHEMBL305274
Prediction Result:
N/A

NK2R_HUMAN

Docking Scores:
-6.64 -6.61 -6.55
Similarity Score:
47.37%
Best Match:
CHEMBL17157
Prediction Result:
Inactive95.30%

NPBW1_HUMAN

Docking Scores:
-5.71 -5.72 -5.83
Similarity Score:
19.01%
Best Match:
CHEMBL2001338
Prediction Result:
Inactive93.55%

NPFF1_HUMAN

Docking Scores:
-6.25 -5.70 -6.05
Similarity Score:
28.17%
Best Match:
CHEMBL575058
Prediction Result:
Inactive67.19%

NPSR1_HUMAN

Docking Scores:
-6.11 -7.18 -6.23
Similarity Score:
25.27%
Best Match:
CHEMBL3086828
Prediction Result:
Inactive86.11%

NPY1R_HUMAN

Docking Scores:
-6.90 -6.46 -5.90
Similarity Score:
36.21%
Best Match:
CHEMBL3559801
Prediction Result:
N/A

NPY2R_HUMAN

Docking Scores:
-6.19 -5.68 -5.89
Similarity Score:
36.21%
Best Match:
CHEMBL3559801
Prediction Result:
Active54.28%

NPY4R_HUMAN

Docking Scores:
-6.17 -6.04 -5.69
Similarity Score:
36.21%
Best Match:
CHEMBL3559801
Prediction Result:
Active95.05%

NPY5R_HUMAN

Docking Scores:
-5.84 -5.69 -5.95
Similarity Score:
36.21%
Best Match:
CHEMBL3559801
Prediction Result:
Inactive84.14%

OPRD_HUMAN

Docking Scores:
-6.11 -5.44 -5.84
Similarity Score:
45.61%
Best Match:
CHEMBL138036
Prediction Result:
N/A

OPRK_HUMAN

Docking Scores:
-6.89 -6.58 -6.94
Similarity Score:
45.61%
Best Match:
CHEMBL138036
Prediction Result:
N/A

OPRM_HUMAN

Docking Scores:
-6.57 -5.42 -5.78
Similarity Score:
45.61%
Best Match:
CHEMBL138036
Prediction Result:
Inactive80.34%

OPRX_HUMAN

Docking Scores:
-5.81 -5.86 -5.85
Similarity Score:
44.64%
Best Match:
CHEMBL3937167
Prediction Result:
N/A

PTAFR_HUMAN

Docking Scores:
-7.33 -7.39 -7.45
Similarity Score:
33.77%
Best Match:
CHEMBL297624
Prediction Result:
Inactive59.92%

TAAR1_HUMAN

Docking Scores:
-6.98 -6.23 -6.50
Similarity Score:
61.76%
Best Match:
CHEMBL612
Prediction Result:
Active88.97%

TSHR_HUMAN

Docking Scores:
-6.98 -7.08 -6.68
Similarity Score:
25.74%
Best Match:
CHEMBL3891546
Prediction Result:
Inactive93.25%

V1AR_HUMAN

Docking Scores:
-6.67 -5.68 -6.91
Similarity Score:
29.07%
Best Match:
CHEMBL1807264
Prediction Result:
Inactive93.53%

VIPR1_HUMAN

Docking Scores:
-6.82 -6.09 -6.61
Similarity Score:
17.20%
Best Match:
CHEMBL483749
Prediction Result:
N/A