job 1 #317 Output Download CSV

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

Docking Scores:
-8.18 -7.95 -7.37
Similarity Score:
60.33%
Best Match:
CHEMBL56564
Prediction Result:
Active68.22%

5HT1B_HUMAN

Docking Scores:
-8.42 -7.72 -8.28
Similarity Score:
46.51%
Best Match:
CHEMBL79693
Prediction Result:
N/A

5HT1D_HUMAN

Docking Scores:
-8.20 -7.60 -6.73
Similarity Score:
46.51%
Best Match:
CHEMBL79693
Prediction Result:
N/A

5HT1E_HUMAN

Docking Scores:
-7.13 -8.18 -7.73
Similarity Score:
26.55%
Best Match:
CHEMBL103479
Prediction Result:
Active51.94%

5HT1F_HUMAN

Docking Scores:
-7.83 -7.73 -7.99
Similarity Score:
29.76%
Best Match:
CHEMBL320198
Prediction Result:
Inactive55.68%

5HT2A_HUMAN

Docking Scores:
-8.40 -7.89
Similarity Score:
65.62%
Best Match:
CHEMBL1201203
Prediction Result:
N/A

5HT2B_HUMAN

Docking Scores:
-7.30 -7.75 -7.84
Similarity Score:
65.62%
Best Match:
CHEMBL1201203
Prediction Result:
N/A

5HT2C_HUMAN

Docking Scores:
-7.40 -8.96
Similarity Score:
65.62%
Best Match:
CHEMBL1201203
Prediction Result:
N/A

5HT4R_HUMAN

Docking Scores:
-8.21 -8.71 -7.73
Similarity Score:
60.33%
Best Match:
CHEMBL56564
Prediction Result:
Active78.97%

5HT5A_HUMAN

Docking Scores:
-7.90 -6.89 -7.69
Similarity Score:
38.28%
Best Match:
CHEMBL161507
Prediction Result:
Active53.48%

5HT6R_HUMAN

Docking Scores:
-7.26 -7.80 -8.07
Similarity Score:
55.66%
Best Match:
CHEMBL1626
Prediction Result:
Active89.22%

5HT7R_HUMAN

Docking Scores:
-7.24 -7.43 -7.24
Similarity Score:
44.00%
Best Match:
CHEMBL203400
Prediction Result:
Inactive53.06%

AA1R_HUMAN

Docking Scores:
-7.17 -7.78 -7.95
Similarity Score:
38.04%
Best Match:
CHEMBL3350613
Prediction Result:
N/A

AA2AR_HUMAN

Docking Scores:
-7.18 -7.10 -8.24
Similarity Score:
38.04%
Best Match:
CHEMBL3350613
Prediction Result:
N/A

AA2BR_HUMAN

Docking Scores:
-7.52 -7.49 -7.43
Similarity Score:
34.91%
Best Match:
CHEMBL384257
Prediction Result:
Active52.64%

AA3R_HUMAN

Docking Scores:
-7.97 -6.06 -7.80
Similarity Score:
69.90%
Best Match:
CHEMBL2107804
Prediction Result:
Active95.06%

ACM1_HUMAN

Docking Scores:
-9.40 -5.02
Similarity Score:
71.29%
Best Match:
CHEMBL85190
Prediction Result:
N/A

ACM2_HUMAN

Docking Scores:
-7.71 -7.48 -9.15
Similarity Score:
71.29%
Best Match:
CHEMBL85190
Prediction Result:
Active94.39%

ACM3_HUMAN

Docking Scores:
-7.82 -8.64 -8.43
Similarity Score:
65.62%
Best Match:
CHEMBL1201203
Prediction Result:
Active76.56%

ACM4_HUMAN

Docking Scores:
-9.10 -7.97
Similarity Score:
71.29%
Best Match:
CHEMBL85190
Prediction Result:
N/A

ACM5_HUMAN

Docking Scores:
-8.80 -8.62 -7.78
Similarity Score:
65.62%
Best Match:
CHEMBL1201203
Prediction Result:
Active88.89%

ACTHR_HUMAN

Docking Scores:
-8.85 -8.73 -7.86
Similarity Score:
N/A
Best Match:
N/A
Prediction Result:
N/A

ADA1D_HUMAN

Docking Scores:
-7.80 -8.23 -7.61
Similarity Score:
65.62%
Best Match:
CHEMBL1201203
Prediction Result:
Active85.55%

ADA2A_HUMAN

Docking Scores:
-5.67 -7.53 -5.27
Similarity Score:
65.62%
Best Match:
CHEMBL1201203
Prediction Result:
Active84.99%

ADA2B_HUMAN

Docking Scores:
-9.01 -8.91 -8.58
Similarity Score:
65.62%
Best Match:
CHEMBL1201203
Prediction Result:
Active85.06%

ADA2C_HUMAN

Docking Scores:
-3.87 -3.91 -3.49
Similarity Score:
65.62%
Best Match:
CHEMBL1201203
Prediction Result:
Inactive99.99%

ADRB1_HUMAN

Docking Scores:
-8.13 -8.21 -7.72
Similarity Score:
45.90%
Best Match:
CHEMBL1085395
Prediction Result:
Active65.97%

ADRB2_HUMAN

Docking Scores:
-7.78 -8.91 -8.38
Similarity Score:
49.60%
Best Match:
CHEMBL1459608
Prediction Result:
N/A

ADRB3_HUMAN

Docking Scores:
-7.94 -8.46 -7.73
Similarity Score:
49.23%
Best Match:
CHEMBL3746885
Prediction Result:
N/A

AGTR2_HUMAN

Docking Scores:
-7.39 -7.57 -7.30
Similarity Score:
32.61%
Best Match:
CHEMBL376286
Prediction Result:
N/A

BKRB2_HUMAN

Docking Scores:
-8.17 -8.32 -8.33
Similarity Score:
35.66%
Best Match:
CHEMBL406291
Prediction Result:
Inactive73.81%

CALCR_HUMAN

Docking Scores:
-7.21 -7.43 -7.53
Similarity Score:
32.95%
Best Match:
CHEMBL2369895
Prediction Result:
Inactive97.90%

CCKAR_HUMAN

Docking Scores:
-7.65 -7.30 -9.05
Similarity Score:
36.96%
Best Match:
CHEMBL206025
Prediction Result:
Inactive94.20%

CCR1_HUMAN

Docking Scores:
-8.13 -6.69 -6.78
Similarity Score:
47.24%
Best Match:
CHEMBL344324
Prediction Result:
Inactive93.98%

CCR2_HUMAN

Docking Scores:
-7.50 -7.79 -7.30
Similarity Score:
50.43%
Best Match:
CHEMBL1683053
Prediction Result:
Inactive77.00%

CCR4_HUMAN

Docking Scores:
-6.88 -7.39 -7.96
Similarity Score:
31.69%
Best Match:
CHEMBL1907216
Prediction Result:
Inactive75.09%

CCR5_HUMAN

Docking Scores:
-7.49 -7.55 -7.30
Similarity Score:
54.76%
Best Match:
CHEMBL101333
Prediction Result:
Inactive94.66%

CLTR1_HUMAN

Docking Scores:
-7.04 -8.01 -9.24
Similarity Score:
32.96%
Best Match:
CHEMBL3342957
Prediction Result:
Inactive93.32%

CNR1_HUMAN

Docking Scores:
-6.67 -8.16 -8.54
Similarity Score:
42.86%
Best Match:
CHEMBL1765160
Prediction Result:
N/A

CNR2_HUMAN

Docking Scores:
-8.57 -9.14
Similarity Score:
50.00%
Best Match:
CHEMBL1765285
Prediction Result:
N/A

CXCR1_HUMAN

Docking Scores:
-7.66
Similarity Score:
25.37%
Best Match:
CHEMBL556862
Prediction Result:
N/A

CXCR2_HUMAN

Docking Scores:
-8.38 -6.21 -6.83
Similarity Score:
33.33%
Best Match:
CHEMBL3645131
Prediction Result:
Inactive69.54%

CXCR3_HUMAN

Docking Scores:
-8.25 -8.26 -8.32
Similarity Score:
38.13%
Best Match:
CHEMBL458422
Prediction Result:
Inactive92.79%

CXCR4_HUMAN

Docking Scores:
-7.59 -6.33 -7.33
Similarity Score:
33.84%
Best Match:
CHEMBL3923006
Prediction Result:
N/A

DRD1_HUMAN

Docking Scores:
-7.97 -7.81 -8.45
Similarity Score:
56.60%
Best Match:
CHEMBL305660
Prediction Result:
Active74.64%

DRD2_HUMAN

Docking Scores:
-6.95
Similarity Score:
62.50%
Best Match:
CHEMBL3318839
Prediction Result:
N/A

DRD3_HUMAN

Docking Scores:
-7.90
Similarity Score:
65.62%
Best Match:
CHEMBL1201203
Prediction Result:
N/A

DRD4_HUMAN

Docking Scores:
-8.08 -8.24
Similarity Score:
62.50%
Best Match:
CHEMBL3318835
Prediction Result:
N/A

DRD5_HUMAN

Docking Scores:
-7.82 -8.31 -7.59
Similarity Score:
42.86%
Best Match:
CHEMBL54
Prediction Result:
Inactive65.98%

EDNRA_HUMAN

Docking Scores:
-7.10 -7.18 -7.23
Similarity Score:
37.31%
Best Match:
CHEMBL315927
Prediction Result:
Inactive62.37%

GABR1_HUMAN

Docking Scores:
-3.80 -4.57 0.24
Similarity Score:
21.02%
Best Match:
CHEMBL2391908
Prediction Result:
Inactive99.99%

GASR_HUMAN

Docking Scores:
-7.62 -7.19 -6.38
Similarity Score:
42.48%
Best Match:
CHEMBL103276
Prediction Result:
Inactive78.71%

GRM1_HUMAN

Docking Scores:
-7.43 -7.90 -8.37
Similarity Score:
34.62%
Best Match:
CHEMBL92162
Prediction Result:
Inactive67.72%

GRM2_HUMAN

Docking Scores:
-6.29 -5.56 -5.79
Similarity Score:
57.01%
Best Match:
CHEMBL3955458
Prediction Result:
Active69.20%

GRM3_HUMAN

Docking Scores:
-6.33 -5.60 -7.15
Similarity Score:
57.01%
Best Match:
CHEMBL3955458
Prediction Result:
Active72.40%

GRM4_HUMAN

Docking Scores:
-3.46 -2.76 -4.04
Similarity Score:
28.12%
Best Match:
CHEMBL578988
Prediction Result:
Inactive99.99%

GRM5_HUMAN

Docking Scores:
-7.80 -5.05 -6.44
Similarity Score:
42.50%
Best Match:
CHEMBL3926962
Prediction Result:
N/A

GRM6_HUMAN

Docking Scores:
-6.79 -8.57 -8.17
Similarity Score:
38.32%
Best Match:
CHEMBL275079
Prediction Result:
Inactive99.12%

GRM7_HUMAN

Docking Scores:
-5.30 -3.52 -6.22
Similarity Score:
30.37%
Best Match:
CHEMBL432038
Prediction Result:
Inactive99.99%

GRM8_HUMAN

Docking Scores:
-4.82 -5.14 -4.41
Similarity Score:
31.11%
Best Match:
CHEMBL95868
Prediction Result:
Inactive69.78%

HRH1_HUMAN

Docking Scores:
-7.05
Similarity Score:
65.62%
Best Match:
CHEMBL1201203
Prediction Result:
N/A

HRH2_HUMAN

Docking Scores:
-8.46 -8.04 -7.50
Similarity Score:
55.66%
Best Match:
CHEMBL1626
Prediction Result:
Active97.92%

HRH3_HUMAN

Docking Scores:
-6.62 -7.93 -7.93
Similarity Score:
55.28%
Best Match:
CHEMBL514217
Prediction Result:
Active75.73%

HRH4_HUMAN

Docking Scores:
-8.08 -7.61 -7.92
Similarity Score:
53.23%
Best Match:
CHEMBL4083336
Prediction Result:
Active84.88%

MC3R_HUMAN

Docking Scores:
-7.45 -6.85 -7.33
Similarity Score:
47.83%
Best Match:
CHEMBL379879
Prediction Result:
Inactive54.03%

MC4R_HUMAN

Docking Scores:
-6.60 -6.03 -6.33
Similarity Score:
47.83%
Best Match:
CHEMBL379879
Prediction Result:
Inactive66.76%

MC5R_HUMAN

Docking Scores:
-5.88 -6.82 -3.96
Similarity Score:
37.21%
Best Match:
CHEMBL1209788
Prediction Result:
Inactive99.99%

MSHR_HUMAN

Docking Scores:
-7.54 -6.87 -7.12
Similarity Score:
47.83%
Best Match:
CHEMBL379879
Prediction Result:
Inactive58.40%

NK1R_HUMAN

Docking Scores:
-7.63 -8.02 -7.15
Similarity Score:
54.84%
Best Match:
CHEMBL2115009
Prediction Result:
N/A

NK2R_HUMAN

Docking Scores:
-7.63 -7.44 -7.45
Similarity Score:
56.60%
Best Match:
CHEMBL305660
Prediction Result:
Inactive94.45%

NPBW1_HUMAN

Docking Scores:
-7.13 -6.88 -7.38
Similarity Score:
29.89%
Best Match:
CHEMBL1977658
Prediction Result:
Inactive94.55%

NPFF1_HUMAN

Docking Scores:
-7.21 -7.29 -7.52
Similarity Score:
33.10%
Best Match:
CHEMBL1672379
Prediction Result:
Inactive89.63%

NPSR1_HUMAN

Docking Scores:
-7.72 -8.61 -7.99
Similarity Score:
31.58%
Best Match:
CHEMBL230333
Prediction Result:
Inactive67.92%

NPY1R_HUMAN

Docking Scores:
-8.16 -7.88 -7.73
Similarity Score:
42.14%
Best Match:
CHEMBL1223991
Prediction Result:
N/A

NPY2R_HUMAN

Docking Scores:
-7.00 -7.12 -6.98
Similarity Score:
38.69%
Best Match:
CHEMBL2030150
Prediction Result:
Inactive90.82%

NPY4R_HUMAN

Docking Scores:
-7.74 -7.82 -7.92
Similarity Score:
33.99%
Best Match:
CHEMBL2440119
Prediction Result:
Inactive50.21%

NPY5R_HUMAN

Docking Scores:
-7.79 -7.23 -7.22
Similarity Score:
46.32%
Best Match:
CHEMBL522913
Prediction Result:
Inactive87.14%

OPRD_HUMAN

Docking Scores:
-7.25 -6.34 -6.38
Similarity Score:
46.10%
Best Match:
CHEMBL575647
Prediction Result:
N/A

OPRK_HUMAN

Docking Scores:
-7.86 -7.22 -8.75
Similarity Score:
52.00%
Best Match:
CHEMBL179350
Prediction Result:
N/A

OPRM_HUMAN

Docking Scores:
-7.54 -6.62 -7.51
Similarity Score:
53.15%
Best Match:
CHEMBL255768
Prediction Result:
Inactive66.64%

OPRX_HUMAN

Docking Scores:
-6.78 -7.12 -6.95
Similarity Score:
52.27%
Best Match:
CHEMBL1783822
Prediction Result:
N/A

PTAFR_HUMAN

Docking Scores:
-7.47 -7.31 -7.80
Similarity Score:
40.62%
Best Match:
CHEMBL2304167
Prediction Result:
Active54.45%

TAAR1_HUMAN

Docking Scores:
-8.11 -8.34 -8.10
Similarity Score:
46.67%
Best Match:
CHEMBL1305977
Prediction Result:
Active55.99%

TSHR_HUMAN

Docking Scores:
-8.73 -8.80 -8.47
Similarity Score:
29.44%
Best Match:
CHEMBL3897841
Prediction Result:
Inactive97.09%

V1AR_HUMAN

Docking Scores:
-7.43 -7.15 -7.59
Similarity Score:
41.22%
Best Match:
CHEMBL3416867
Prediction Result:
Inactive88.16%

VIPR1_HUMAN

Docking Scores:
-6.54 -7.36 -7.31
Similarity Score:
30.05%
Best Match:
CHEMBL3884667
Prediction Result:
N/A