vs-17 #9 Output Download CSV

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

Docking Scores:
-7.95 -7.89 -8.46
Similarity Score:
46.40%
Best Match:
CHEMBL1946779
Prediction Result:
Active59.62%

5HT1B_HUMAN

Docking Scores:
-8.68 -8.39 -8.68
Similarity Score:
41.09%
Best Match:
CHEMBL515472
Prediction Result:
N/A

5HT1D_HUMAN

Docking Scores:
-8.41 -8.40 -7.51
Similarity Score:
43.94%
Best Match:
CHEMBL100086
Prediction Result:
N/A

5HT1E_HUMAN

Docking Scores:
-7.63 -9.30 -8.74
Similarity Score:
26.52%
Best Match:
CHEMBL2391541
Prediction Result:
Active56.49%

5HT1F_HUMAN

Docking Scores:
-8.37 -8.28 -8.39
Similarity Score:
27.15%
Best Match:
CHEMBL104374
Prediction Result:
Inactive59.57%

5HT2A_HUMAN

Docking Scores:
-8.46 -9.02
Similarity Score:
50.74%
Best Match:
CHEMBL381664
Prediction Result:
N/A

5HT2B_HUMAN

Docking Scores:
-7.81 -8.52 -8.48
Similarity Score:
44.09%
Best Match:
CHEMBL454770
Prediction Result:
N/A

5HT2C_HUMAN

Docking Scores:
-8.21 -8.03
Similarity Score:
50.74%
Best Match:
CHEMBL381664
Prediction Result:
N/A

5HT4R_HUMAN

Docking Scores:
-8.63 -8.20 -7.06
Similarity Score:
42.02%
Best Match:
CHEMBL1258560
Prediction Result:
Inactive61.50%

5HT5A_HUMAN

Docking Scores:
-8.72 -6.67 -7.43
Similarity Score:
37.29%
Best Match:
CHEMBL278751
Prediction Result:
Inactive59.35%

5HT6R_HUMAN

Docking Scores:
-8.16 -7.75 -8.10
Similarity Score:
44.14%
Best Match:
CHEMBL484608
Prediction Result:
Active57.83%

5HT7R_HUMAN

Docking Scores:
-8.49 -8.08 -8.18
Similarity Score:
46.88%
Best Match:
CHEMBL487192
Prediction Result:
Active58.86%

AA1R_HUMAN

Docking Scores:
-7.94 -8.29 -7.22
Similarity Score:
36.36%
Best Match:
CHEMBL1544
Prediction Result:
N/A

AA2AR_HUMAN

Docking Scores:
-7.86 -7.96 -9.13
Similarity Score:
31.95%
Best Match:
CHEMBL3317576
Prediction Result:
N/A

AA2BR_HUMAN

Docking Scores:
-8.17 -8.22 -8.16
Similarity Score:
31.95%
Best Match:
CHEMBL3317576
Prediction Result:
Inactive62.64%

AA3R_HUMAN

Docking Scores:
-6.76 -6.85 -8.06
Similarity Score:
40.16%
Best Match:
CHEMBL513389
Prediction Result:
Active50.76%

ACM1_HUMAN

Docking Scores:
-8.48 -3.85
Similarity Score:
43.69%
Best Match:
CHEMBL72506
Prediction Result:
N/A

ACM2_HUMAN

Docking Scores:
-8.14 -7.79 -8.67
Similarity Score:
47.41%
Best Match:
CHEMBL74305
Prediction Result:
Active60.22%

ACM3_HUMAN

Docking Scores:
-8.38 -9.19 -8.60
Similarity Score:
45.08%
Best Match:
CHEMBL1773265
Prediction Result:
Active65.29%

ACM4_HUMAN

Docking Scores:
-8.48 -7.24
Similarity Score:
38.95%
Best Match:
CHEMBL240022
Prediction Result:
N/A

ACM5_HUMAN

Docking Scores:
-8.95 -9.31 -7.62
Similarity Score:
42.11%
Best Match:
CHEMBL3629534
Prediction Result:
Active83.93%

ACTHR_HUMAN

Docking Scores:
-9.13 -9.10 -7.41
Similarity Score:
N/A
Best Match:
N/A
Prediction Result:
N/A

ADA1D_HUMAN

Docking Scores:
-8.25 -7.66 -7.87
Similarity Score:
46.40%
Best Match:
CHEMBL1946779
Prediction Result:
Active53.04%

ADA2A_HUMAN

Docking Scores:
-2.18 -5.78 -1.49
Similarity Score:
43.84%
Best Match:
CHEMBL193435
Prediction Result:
Inactive99.99%

ADA2B_HUMAN

Docking Scores:
-8.80 -9.32 -7.16
Similarity Score:
39.13%
Best Match:
CHEMBL1437
Prediction Result:
Active60.18%

ADA2C_HUMAN

Docking Scores:
-3.12 -2.83 -1.09
Similarity Score:
43.84%
Best Match:
CHEMBL193435
Prediction Result:
Inactive99.99%

ADRB1_HUMAN

Docking Scores:
-9.03 -7.76 -7.78
Similarity Score:
50.43%
Best Match:
CHEMBL1086536
Prediction Result:
Active62.81%

ADRB2_HUMAN

Docking Scores:
-7.22 -7.41 -7.93
Similarity Score:
50.43%
Best Match:
CHEMBL1086536
Prediction Result:
N/A

ADRB3_HUMAN

Docking Scores:
-8.71 -8.03 -8.39
Similarity Score:
50.43%
Best Match:
CHEMBL1086536
Prediction Result:
N/A

AGTR2_HUMAN

Docking Scores:
-7.49 -7.55 -7.19
Similarity Score:
33.74%
Best Match:
CHEMBL155987
Prediction Result:
N/A

BKRB2_HUMAN

Docking Scores:
-9.07 -9.09 -9.19
Similarity Score:
23.36%
Best Match:
CHEMBL130438
Prediction Result:
Inactive85.28%

CALCR_HUMAN

Docking Scores:
-7.37 -7.46 -7.51
Similarity Score:
21.62%
Best Match:
CHEMBL2369895
Prediction Result:
Inactive98.43%

CCKAR_HUMAN

Docking Scores:
-7.32 -7.79 -8.73
Similarity Score:
30.11%
Best Match:
CHEMBL249151
Prediction Result:
Inactive96.13%

CCR1_HUMAN

Docking Scores:
-7.99 -7.58 -7.60
Similarity Score:
40.48%
Best Match:
CHEMBL143690
Prediction Result:
Inactive90.52%

CCR2_HUMAN

Docking Scores:
-7.34 -7.67 -6.94
Similarity Score:
38.61%
Best Match:
CHEMBL3589844
Prediction Result:
Inactive92.08%

CCR4_HUMAN

Docking Scores:
-7.12 -7.24 -8.09
Similarity Score:
31.88%
Best Match:
CHEMBL1907216
Prediction Result:
Inactive73.39%

CCR5_HUMAN

Docking Scores:
-6.93 -7.20 -7.41
Similarity Score:
37.32%
Best Match:
CHEMBL504250
Prediction Result:
Inactive99.05%

CLTR1_HUMAN

Docking Scores:
-8.00 -8.11 -8.74
Similarity Score:
37.21%
Best Match:
CHEMBL1214531
Prediction Result:
Inactive90.76%

CNR1_HUMAN

Docking Scores:
-7.11 -9.02 -8.54
Similarity Score:
60.00%
Best Match:
CHEMBL1923765
Prediction Result:
N/A

CNR2_HUMAN

Docking Scores:
-8.57 -8.40
Similarity Score:
60.00%
Best Match:
CHEMBL1923765
Prediction Result:
N/A

CXCR1_HUMAN

Docking Scores:
-6.88
Similarity Score:
24.62%
Best Match:
CHEMBL490688
Prediction Result:
N/A

CXCR2_HUMAN

Docking Scores:
-8.34 -7.52 -7.09
Similarity Score:
29.05%
Best Match:
CHEMBL3645131
Prediction Result:
Inactive65.94%

CXCR3_HUMAN

Docking Scores:
-8.73 -9.01 -8.76
Similarity Score:
34.23%
Best Match:
CHEMBL3920319
Prediction Result:
Inactive87.57%

CXCR4_HUMAN

Docking Scores:
-8.33 -6.99 -8.15
Similarity Score:
28.32%
Best Match:
CHEMBL1644072
Prediction Result:
N/A

DRD1_HUMAN

Docking Scores:
-8.41 -8.87 -8.31
Similarity Score:
55.00%
Best Match:
CHEMBL431220
Prediction Result:
Active70.79%

DRD2_HUMAN

Docking Scores:
-7.72
Similarity Score:
50.71%
Best Match:
CHEMBL171826
Prediction Result:
N/A

DRD3_HUMAN

Docking Scores:
-8.02
Similarity Score:
50.71%
Best Match:
CHEMBL171825
Prediction Result:
N/A

DRD4_HUMAN

Docking Scores:
-8.19 -8.36
Similarity Score:
49.54%
Best Match:
CHEMBL3800303
Prediction Result:
N/A

DRD5_HUMAN

Docking Scores:
-9.32 -9.31 -7.22
Similarity Score:
38.18%
Best Match:
CHEMBL231171
Prediction Result:
Inactive66.00%

EDNRA_HUMAN

Docking Scores:
-7.25 -7.32 -7.36
Similarity Score:
54.14%
Best Match:
CHEMBL64200
Prediction Result:
Active75.43%

GABR1_HUMAN

Docking Scores:
-0.11 -3.66 5.32
Similarity Score:
18.59%
Best Match:
CHEMBL2391908
Prediction Result:
Inactive99.99%

GASR_HUMAN

Docking Scores:
-7.80 -7.25 -6.72
Similarity Score:
33.70%
Best Match:
CHEMBL452991
Prediction Result:
Inactive83.24%

GRM1_HUMAN

Docking Scores:
-7.38 -7.63 -7.55
Similarity Score:
39.45%
Best Match:
CHEMBL254372
Prediction Result:
Inactive62.03%

GRM2_HUMAN

Docking Scores:
-1.43 0.73 -1.83
Similarity Score:
42.73%
Best Match:
CHEMBL341457
Prediction Result:
Inactive99.99%

GRM3_HUMAN

Docking Scores:
-3.24 -5.21 -6.54
Similarity Score:
42.73%
Best Match:
CHEMBL341457
Prediction Result:
Inactive99.99%

GRM4_HUMAN

Docking Scores:
1.18 0.06 -1.80
Similarity Score:
24.84%
Best Match:
CHEMBL3114673
Prediction Result:
Inactive99.99%

GRM5_HUMAN

Docking Scores:
-10.04 -6.02 -6.63
Similarity Score:
43.86%
Best Match:
CHEMBL1682820
Prediction Result:
N/A

GRM6_HUMAN

Docking Scores:
-3.88 -8.67 -4.57
Similarity Score:
21.19%
Best Match:
CHEMBL275079
Prediction Result:
Inactive99.99%

GRM7_HUMAN

Docking Scores:
-4.46 -2.35 -2.67
Similarity Score:
31.54%
Best Match:
CHEMBL432038
Prediction Result:
Inactive99.99%

GRM8_HUMAN

Docking Scores:
-1.87 -1.55 -0.89
Similarity Score:
31.54%
Best Match:
CHEMBL432038
Prediction Result:
Inactive99.99%

HRH1_HUMAN

Docking Scores:
-6.77
Similarity Score:
45.04%
Best Match:
CHEMBL258930
Prediction Result:
N/A

HRH2_HUMAN

Docking Scores:
-8.79 -7.72 -7.80
Similarity Score:
41.23%
Best Match:
CHEMBL422931
Prediction Result:
Active97.54%

HRH3_HUMAN

Docking Scores:
-7.45 -8.61 -8.70
Similarity Score:
54.13%
Best Match:
CHEMBL1822856
Prediction Result:
Active76.34%

HRH4_HUMAN

Docking Scores:
-9.14 -9.11 -9.14
Similarity Score:
36.00%
Best Match:
CHEMBL1934064
Prediction Result:
Inactive66.33%

MC3R_HUMAN

Docking Scores:
-7.77 -7.34 -7.17
Similarity Score:
32.32%
Best Match:
CHEMBL380120
Prediction Result:
Inactive72.47%

MC4R_HUMAN

Docking Scores:
-7.17 -6.90 -6.84
Similarity Score:
34.13%
Best Match:
CHEMBL1501300
Prediction Result:
Inactive94.09%

MC5R_HUMAN

Docking Scores:
-6.97 -7.92 -4.67
Similarity Score:
24.86%
Best Match:
CHEMBL1209788
Prediction Result:
Inactive95.39%

MSHR_HUMAN

Docking Scores:
-7.46 -7.36 -7.63
Similarity Score:
32.95%
Best Match:
CHEMBL4113490
Prediction Result:
Inactive71.25%

NK1R_HUMAN

Docking Scores:
-8.01 -7.75 -7.83
Similarity Score:
54.63%
Best Match:
CHEMBL140101
Prediction Result:
N/A

NK2R_HUMAN

Docking Scores:
-7.72 -8.20 -8.05
Similarity Score:
41.45%
Best Match:
CHEMBL284269
Prediction Result:
Inactive98.46%

NPBW1_HUMAN

Docking Scores:
-7.67 -7.59 -8.09
Similarity Score:
28.73%
Best Match:
CHEMBL2001553
Prediction Result:
Inactive91.18%

NPFF1_HUMAN

Docking Scores:
-7.50 -7.64 -8.34
Similarity Score:
22.56%
Best Match:
CHEMBL2208334
Prediction Result:
Inactive77.25%

NPSR1_HUMAN

Docking Scores:
-7.93 -8.50 -8.64
Similarity Score:
34.12%
Best Match:
CHEMBL1801358
Prediction Result:
Inactive61.37%

NPY1R_HUMAN

Docking Scores:
-8.54 -8.41 -8.07
Similarity Score:
43.62%
Best Match:
CHEMBL3559801
Prediction Result:
N/A

NPY2R_HUMAN

Docking Scores:
-7.70 -7.61 -7.55
Similarity Score:
43.62%
Best Match:
CHEMBL3559801
Prediction Result:
Inactive91.67%

NPY4R_HUMAN

Docking Scores:
-8.46 -8.53 -8.27
Similarity Score:
43.62%
Best Match:
CHEMBL3559801
Prediction Result:
Inactive74.46%

NPY5R_HUMAN

Docking Scores:
-8.21 -7.68 -7.59
Similarity Score:
43.62%
Best Match:
CHEMBL3559801
Prediction Result:
Inactive69.27%

OPRD_HUMAN

Docking Scores:
-7.07 -6.35 -6.88
Similarity Score:
51.46%
Best Match:
CHEMBL1237044
Prediction Result:
N/A

OPRK_HUMAN

Docking Scores:
-8.29 -7.77 -7.97
Similarity Score:
53.57%
Best Match:
CHEMBL2022021
Prediction Result:
N/A

OPRM_HUMAN

Docking Scores:
-8.24 -6.99 -7.86
Similarity Score:
57.55%
Best Match:
CHEMBL257264
Prediction Result:
Active50.45%

OPRX_HUMAN

Docking Scores:
-7.69 -8.11 -6.97
Similarity Score:
45.16%
Best Match:
CHEMBL3581755
Prediction Result:
N/A

PTAFR_HUMAN

Docking Scores:
-7.73 -7.51 -7.88
Similarity Score:
74.73%
Best Match:
CHEMBL297624
Prediction Result:
Active97.68%

TAAR1_HUMAN

Docking Scores:
-9.06 -9.34 -8.97
Similarity Score:
40.00%
Best Match:
CHEMBL3195509
Prediction Result:
Inactive70.47%

TSHR_HUMAN

Docking Scores:
-8.78 -8.79 -8.66
Similarity Score:
22.94%
Best Match:
CHEMBL3913851
Prediction Result:
Inactive97.52%

V1AR_HUMAN

Docking Scores:
-7.22 -7.67 -7.30
Similarity Score:
33.56%
Best Match:
CHEMBL3416859
Prediction Result:
Inactive93.35%

VIPR1_HUMAN

Docking Scores:
-8.03 -8.17 -7.83
Similarity Score:
20.00%
Best Match:
CHEMBL3884667
Prediction Result:
N/A