job final #323 Output Download CSV

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

Docking Scores:
-8.68 -7.64 -8.26
Similarity Score:
47.55%
Best Match:
CHEMBL49838
Prediction Result:
Inactive52.43%

5HT1B_HUMAN

Docking Scores:
-8.84 -9.16 -9.67
Similarity Score:
46.63%
Best Match:
CHEMBL29951
Prediction Result:
N/A

5HT1D_HUMAN

Docking Scores:
-9.15 -7.59 -7.55
Similarity Score:
46.63%
Best Match:
CHEMBL29951
Prediction Result:
N/A

5HT1E_HUMAN

Docking Scores:
-8.24 -7.61 -8.21
Similarity Score:
26.49%
Best Match:
CHEMBL343755
Prediction Result:
Inactive71.03%

5HT1F_HUMAN

Docking Scores:
-9.28 -9.38 -9.60
Similarity Score:
26.47%
Best Match:
CHEMBL497963
Prediction Result:
Inactive71.38%

5HT2A_HUMAN

Docking Scores:
-9.45 -7.40
Similarity Score:
47.74%
Best Match:
CHEMBL3695438
Prediction Result:
N/A

5HT2B_HUMAN

Docking Scores:
-8.63 -8.94 -9.24
Similarity Score:
45.71%
Best Match:
CHEMBL445106
Prediction Result:
N/A

5HT2C_HUMAN

Docking Scores:
-8.91 -9.12
Similarity Score:
45.71%
Best Match:
CHEMBL445106
Prediction Result:
N/A

5HT4R_HUMAN

Docking Scores:
-9.55 -9.30 -7.46
Similarity Score:
36.73%
Best Match:
CHEMBL571799
Prediction Result:
Inactive59.81%

5HT5A_HUMAN

Docking Scores:
-9.92 -7.50 -8.25
Similarity Score:
41.05%
Best Match:
CHEMBL278751
Prediction Result:
Inactive74.19%

5HT6R_HUMAN

Docking Scores:
-8.27 -7.96 -7.77
Similarity Score:
43.36%
Best Match:
CHEMBL429023
Prediction Result:
Active63.09%

5HT7R_HUMAN

Docking Scores:
-8.86 -9.18 -9.31
Similarity Score:
42.06%
Best Match:
CHEMBL3581246
Prediction Result:
Active74.24%

AA1R_HUMAN

Docking Scores:
-8.28 -9.04 -7.24
Similarity Score:
29.48%
Best Match:
CHEMBL1090687
Prediction Result:
N/A

AA2AR_HUMAN

Docking Scores:
-7.48 -7.87 -9.48
Similarity Score:
35.71%
Best Match:
CHEMBL559023
Prediction Result:
N/A

AA2BR_HUMAN

Docking Scores:
-8.90 -8.88 -9.01
Similarity Score:
30.71%
Best Match:
CHEMBL589251
Prediction Result:
Inactive53.78%

AA3R_HUMAN

Docking Scores:
-4.56 -4.37 -8.41
Similarity Score:
55.86%
Best Match:
CHEMBL80
Prediction Result:
Active62.29%

ACM1_HUMAN

Docking Scores:
-9.46 4.59
Similarity Score:
43.05%
Best Match:
CHEMBL2312344
Prediction Result:
N/A

ACM2_HUMAN

Docking Scores:
-9.90 -8.69 -10.25
Similarity Score:
40.51%
Best Match:
CHEMBL343236
Prediction Result:
Inactive52.32%

ACM3_HUMAN

Docking Scores:
-8.90 -9.54 -8.35
Similarity Score:
40.77%
Best Match:
CHEMBL1921911
Prediction Result:
Active59.88%

ACM4_HUMAN

Docking Scores:
-7.77 -7.29
Similarity Score:
38.46%
Best Match:
CHEMBL1346
Prediction Result:
N/A

ACM5_HUMAN

Docking Scores:
-9.45 -9.39 -8.25
Similarity Score:
42.67%
Best Match:
CHEMBL2312366
Prediction Result:
Active62.49%

ACTHR_HUMAN

Docking Scores:
-8.35 -8.52 -8.56
Similarity Score:
N/A
Best Match:
N/A
Prediction Result:
N/A

ADA1D_HUMAN

Docking Scores:
-8.58 -8.86 -9.02
Similarity Score:
40.58%
Best Match:
CHEMBL383938
Prediction Result:
Inactive64.77%

ADA2A_HUMAN

Docking Scores:
-0.96 -1.81 2.23
Similarity Score:
42.36%
Best Match:
CHEMBL50588
Prediction Result:
Inactive99.99%

ADA2B_HUMAN

Docking Scores:
-7.52 -6.14 -4.74
Similarity Score:
36.32%
Best Match:
CHEMBL268258
Prediction Result:
Active55.11%

ADA2C_HUMAN

Docking Scores:
5.36 5.10 4.53
Similarity Score:
42.36%
Best Match:
CHEMBL50588
Prediction Result:
Inactive99.99%

ADRB1_HUMAN

Docking Scores:
-9.09 -8.03 -8.60
Similarity Score:
38.46%
Best Match:
CHEMBL1346
Prediction Result:
Inactive60.94%

ADRB2_HUMAN

Docking Scores:
-7.87 -8.85 -9.49
Similarity Score:
40.36%
Best Match:
CHEMBL1714856
Prediction Result:
N/A

ADRB3_HUMAN

Docking Scores:
-9.02 -8.21 -8.70
Similarity Score:
41.67%
Best Match:
CHEMBL59765
Prediction Result:
N/A

AGTR2_HUMAN

Docking Scores:
-8.46 -8.44 -8.46
Similarity Score:
41.15%
Best Match:
CHEMBL154057
Prediction Result:
N/A

BKRB2_HUMAN

Docking Scores:
-8.28 -10.89 -9.28
Similarity Score:
28.09%
Best Match:
CHEMBL2105864
Prediction Result:
Inactive70.52%

CALCR_HUMAN

Docking Scores:
-7.87 -8.23 -8.47
Similarity Score:
27.31%
Best Match:
CHEMBL2369895
Prediction Result:
Inactive98.39%

CCKAR_HUMAN

Docking Scores:
-8.85 -8.20 -8.52
Similarity Score:
28.89%
Best Match:
CHEMBL249151
Prediction Result:
Inactive92.59%

CCR1_HUMAN

Docking Scores:
-8.95 -7.90 -7.87
Similarity Score:
37.72%
Best Match:
CHEMBL2391937
Prediction Result:
Inactive79.92%

CCR2_HUMAN

Docking Scores:
-8.74 -8.66 -7.96
Similarity Score:
39.00%
Best Match:
CHEMBL3589950
Prediction Result:
Inactive54.02%

CCR4_HUMAN

Docking Scores:
-7.33 -8.46 -8.96
Similarity Score:
29.15%
Best Match:
CHEMBL1907216
Prediction Result:
Inactive69.74%

CCR5_HUMAN

Docking Scores:
-8.55 -8.49 -7.93
Similarity Score:
45.36%
Best Match:
CHEMBL3219777
Prediction Result:
Inactive76.36%

CLTR1_HUMAN

Docking Scores:
-8.58 -8.85 -10.18
Similarity Score:
34.26%
Best Match:
CHEMBL1214532
Prediction Result:
Inactive77.56%

CNR1_HUMAN

Docking Scores:
-7.79 -9.66 -9.84
Similarity Score:
52.34%
Best Match:
CHEMBL1668516
Prediction Result:
N/A

CNR2_HUMAN

Docking Scores:
-10.27 -10.13
Similarity Score:
53.23%
Best Match:
CHEMBL2348471
Prediction Result:
N/A

CXCR1_HUMAN

Docking Scores:
-8.34
Similarity Score:
28.73%
Best Match:
CHEMBL490688
Prediction Result:
N/A

CXCR2_HUMAN

Docking Scores:
-8.27 -8.06 -7.83
Similarity Score:
32.59%
Best Match:
CHEMBL3645131
Prediction Result:
Inactive68.27%

CXCR3_HUMAN

Docking Scores:
-8.86 -8.59 -8.51
Similarity Score:
43.38%
Best Match:
CHEMBL3697086
Prediction Result:
Inactive85.32%

CXCR4_HUMAN

Docking Scores:
-8.66 -7.45 -7.75
Similarity Score:
31.98%
Best Match:
CHEMBL2029611
Prediction Result:
N/A

DRD1_HUMAN

Docking Scores:
-7.79 -8.69 -8.94
Similarity Score:
45.89%
Best Match:
CHEMBL3781035
Prediction Result:
Active71.93%

DRD2_HUMAN

Docking Scores:
-8.04
Similarity Score:
50.78%
Best Match:
CHEMBL170976
Prediction Result:
N/A

DRD3_HUMAN

Docking Scores:
-8.45
Similarity Score:
50.78%
Best Match:
CHEMBL170976
Prediction Result:
N/A

DRD4_HUMAN

Docking Scores:
-8.51 -8.90
Similarity Score:
44.81%
Best Match:
CHEMBL132261
Prediction Result:
N/A

DRD5_HUMAN

Docking Scores:
-7.88 -7.12 -7.53
Similarity Score:
42.80%
Best Match:
CHEMBL3577346
Prediction Result:
Inactive66.68%

EDNRA_HUMAN

Docking Scores:
-8.25 -8.01 -8.04
Similarity Score:
42.92%
Best Match:
CHEMBL323951
Prediction Result:
Active57.57%

GABR1_HUMAN

Docking Scores:
6.02 4.28 12.05
Similarity Score:
17.34%
Best Match:
CHEMBL2391908
Prediction Result:
Inactive99.99%

GASR_HUMAN

Docking Scores:
-8.68 -8.27 -6.94
Similarity Score:
53.30%
Best Match:
CHEMBL452991
Prediction Result:
Inactive51.99%

GRM1_HUMAN

Docking Scores:
-7.55 -6.33 -2.70
Similarity Score:
33.85%
Best Match:
CHEMBL2111944
Prediction Result:
Inactive99.99%

GRM2_HUMAN

Docking Scores:
2.71 3.56 4.04
Similarity Score:
31.76%
Best Match:
CHEMBL287831
Prediction Result:
Inactive99.99%

GRM3_HUMAN

Docking Scores:
0.02 -2.38 -1.34
Similarity Score:
30.20%
Best Match:
CHEMBL341457
Prediction Result:
Inactive99.99%

GRM4_HUMAN

Docking Scores:
2.96 2.48 2.39
Similarity Score:
28.37%
Best Match:
CHEMBL2063423
Prediction Result:
Inactive99.99%

GRM5_HUMAN

Docking Scores:
-6.43 0.62 -1.96
Similarity Score:
29.67%
Best Match:
CHEMBL3805652
Prediction Result:
N/A

GRM6_HUMAN

Docking Scores:
-2.39 -6.18 -4.51
Similarity Score:
17.48%
Best Match:
CHEMBL1585091
Prediction Result:
Inactive99.99%

GRM7_HUMAN

Docking Scores:
-1.17 0.98 1.56
Similarity Score:
29.44%
Best Match:
CHEMBL432038
Prediction Result:
Inactive99.99%

GRM8_HUMAN

Docking Scores:
6.41 7.05 8.02
Similarity Score:
29.91%
Best Match:
CHEMBL95868
Prediction Result:
Inactive99.99%

HRH1_HUMAN

Docking Scores:
-7.01
Similarity Score:
40.30%
Best Match:
CHEMBL476839
Prediction Result:
N/A

HRH2_HUMAN

Docking Scores:
-8.96 -8.71 -8.65
Similarity Score:
37.68%
Best Match:
CHEMBL490632
Prediction Result:
Active98.32%

HRH3_HUMAN

Docking Scores:
-7.61 -8.78 -9.21
Similarity Score:
45.00%
Best Match:
CHEMBL1935421
Prediction Result:
Active60.31%

HRH4_HUMAN

Docking Scores:
-7.94 -6.87 -7.93
Similarity Score:
34.98%
Best Match:
CHEMBL1934062
Prediction Result:
Inactive51.29%

MC3R_HUMAN

Docking Scores:
-8.43 -8.21 -7.18
Similarity Score:
32.92%
Best Match:
CHEMBL257759
Prediction Result:
Inactive73.31%

MC4R_HUMAN

Docking Scores:
-8.17 -7.57 -7.45
Similarity Score:
34.69%
Best Match:
CHEMBL439361
Prediction Result:
Inactive95.04%

MC5R_HUMAN

Docking Scores:
-6.26 -7.42 -4.75
Similarity Score:
32.92%
Best Match:
CHEMBL257759
Prediction Result:
Inactive87.21%

MSHR_HUMAN

Docking Scores:
-8.08 -7.90 -8.34
Similarity Score:
34.60%
Best Match:
CHEMBL442537
Prediction Result:
Inactive69.76%

NK1R_HUMAN

Docking Scores:
-9.22 -7.83 -7.72
Similarity Score:
44.73%
Best Match:
CHEMBL327606
Prediction Result:
N/A

NK2R_HUMAN

Docking Scores:
-8.70 -8.42 -8.68
Similarity Score:
42.64%
Best Match:
CHEMBL553025
Prediction Result:
Inactive92.92%

NPBW1_HUMAN

Docking Scores:
-7.81 -8.37 -8.54
Similarity Score:
29.17%
Best Match:
CHEMBL1940539
Prediction Result:
Inactive90.49%

NPFF1_HUMAN

Docking Scores:
-8.24 -8.09 -8.14
Similarity Score:
26.34%
Best Match:
CHEMBL2208334
Prediction Result:
Inactive66.22%

NPSR1_HUMAN

Docking Scores:
-8.06 -8.73 -9.75
Similarity Score:
32.56%
Best Match:
CHEMBL1801359
Prediction Result:
Inactive63.75%

NPY1R_HUMAN

Docking Scores:
-9.74 -8.62 -8.97
Similarity Score:
33.33%
Best Match:
CHEMBL356118
Prediction Result:
N/A

NPY2R_HUMAN

Docking Scores:
-8.50 -8.30 -8.97
Similarity Score:
29.52%
Best Match:
CHEMBL2030193
Prediction Result:
Inactive94.03%

NPY4R_HUMAN

Docking Scores:
-9.00 -9.10 -9.08
Similarity Score:
28.57%
Best Match:
CHEMBL3099721
Prediction Result:
Inactive97.37%

NPY5R_HUMAN

Docking Scores:
-8.20 -8.09 -7.53
Similarity Score:
44.49%
Best Match:
CHEMBL349386
Prediction Result:
Inactive76.99%

OPRD_HUMAN

Docking Scores:
-7.82 -7.23 -7.50
Similarity Score:
91.33%
Best Match:
CHEMBL199931
Prediction Result:
N/A

OPRK_HUMAN

Docking Scores:
-9.52 -8.81 -8.23
Similarity Score:
91.33%
Best Match:
CHEMBL199931
Prediction Result:
N/A

OPRM_HUMAN

Docking Scores:
-8.74 -7.48 -7.39
Similarity Score:
91.33%
Best Match:
CHEMBL199931
Prediction Result:
Active95.49%

OPRX_HUMAN

Docking Scores:
-7.48 -7.70 -7.75
Similarity Score:
88.72%
Best Match:
CHEMBL3262362
Prediction Result:
N/A

PTAFR_HUMAN

Docking Scores:
-9.28 -8.70 -9.12
Similarity Score:
36.48%
Best Match:
CHEMBL34669
Prediction Result:
Inactive51.75%

TAAR1_HUMAN

Docking Scores:
-9.54 -9.59 -8.99
Similarity Score:
42.08%
Best Match:
CHEMBL2136532
Prediction Result:
Inactive74.16%

TSHR_HUMAN

Docking Scores:
-9.43 -9.46 -9.14
Similarity Score:
29.46%
Best Match:
CHEMBL3897841
Prediction Result:
Inactive96.91%

V1AR_HUMAN

Docking Scores:
-7.88 -8.17 -8.83
Similarity Score:
34.58%
Best Match:
CHEMBL3416874
Prediction Result:
Inactive83.56%

VIPR1_HUMAN

Docking Scores:
-7.73 -9.49 -8.65
Similarity Score:
25.50%
Best Match:
CHEMBL507480
Prediction Result:
N/A