CKB test #285 Output Download CSV

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

Docking Scores:
-7.36 -6.53 -6.16
Similarity Score:
51.72%
Best Match:
CHEMBL178680
Prediction Result:
Inactive53.17%

5HT1B_HUMAN

Docking Scores:
-6.85 -6.73 -7.35
Similarity Score:
47.44%
Best Match:
CHEMBL146942
Prediction Result:
N/A

5HT1D_HUMAN

Docking Scores:
-6.76 -6.96 -5.70
Similarity Score:
46.09%
Best Match:
CHEMBL100086
Prediction Result:
N/A

5HT1E_HUMAN

Docking Scores:
-6.72 -7.26 -7.13
Similarity Score:
28.32%
Best Match:
CHEMBL2391541
Prediction Result:
Inactive53.90%

5HT1F_HUMAN

Docking Scores:
-6.99 -6.90 -7.09
Similarity Score:
28.78%
Best Match:
CHEMBL3616488
Prediction Result:
Inactive68.72%

5HT2A_HUMAN

Docking Scores:
-7.23 -7.29
Similarity Score:
56.94%
Best Match:
CHEMBL493129
Prediction Result:
N/A

5HT2B_HUMAN

Docking Scores:
-6.74 -7.38 -7.38
Similarity Score:
56.94%
Best Match:
CHEMBL493129
Prediction Result:
N/A

5HT2C_HUMAN

Docking Scores:
-7.00 -7.13
Similarity Score:
56.94%
Best Match:
CHEMBL493129
Prediction Result:
N/A

5HT4R_HUMAN

Docking Scores:
-8.02 -8.31 -7.46
Similarity Score:
41.07%
Best Match:
CHEMBL80015
Prediction Result:
Inactive61.45%

5HT5A_HUMAN

Docking Scores:
-7.15 -6.00 -6.58
Similarity Score:
44.33%
Best Match:
CHEMBL278751
Prediction Result:
Active56.89%

5HT6R_HUMAN

Docking Scores:
-6.35 -6.80 -7.02
Similarity Score:
47.44%
Best Match:
CHEMBL146942
Prediction Result:
Active59.48%

5HT7R_HUMAN

Docking Scores:
-7.47 -7.29 -7.50
Similarity Score:
47.44%
Best Match:
CHEMBL146942
Prediction Result:
Active62.14%

AA1R_HUMAN

Docking Scores:
-7.42 -6.72 -6.74
Similarity Score:
47.42%
Best Match:
CHEMBL1544
Prediction Result:
N/A

AA2AR_HUMAN

Docking Scores:
-6.51 -7.09 -7.44
Similarity Score:
36.00%
Best Match:
CHEMBL2042091
Prediction Result:
N/A

AA2BR_HUMAN

Docking Scores:
-7.77 -7.51 -6.88
Similarity Score:
31.37%
Best Match:
CHEMBL3317576
Prediction Result:
Inactive57.60%

AA3R_HUMAN

Docking Scores:
-7.52 -7.93 -7.01
Similarity Score:
43.27%
Best Match:
CHEMBL513389
Prediction Result:
Active61.08%

ACM1_HUMAN

Docking Scores:
-7.70 -8.21
Similarity Score:
51.35%
Best Match:
CHEMBL4081662
Prediction Result:
N/A

ACM2_HUMAN

Docking Scores:
-7.49 -6.50 -7.58
Similarity Score:
52.04%
Best Match:
CHEMBL74305
Prediction Result:
Active54.19%

ACM3_HUMAN

Docking Scores:
-6.70 -7.77 -7.91
Similarity Score:
51.35%
Best Match:
CHEMBL4081662
Prediction Result:
Active53.86%

ACM4_HUMAN

Docking Scores:
-7.52 -6.86
Similarity Score:
45.65%
Best Match:
CHEMBL24369
Prediction Result:
N/A

ACM5_HUMAN

Docking Scores:
-7.66 -7.43 -7.63
Similarity Score:
47.37%
Best Match:
CHEMBL3629534
Prediction Result:
Active72.19%

ACTHR_HUMAN

Docking Scores:
-8.66 -8.48 -7.38
Similarity Score:
N/A
Best Match:
N/A
Prediction Result:
N/A

ADA1D_HUMAN

Docking Scores:
-7.11 -6.84 -6.50
Similarity Score:
46.23%
Best Match:
CHEMBL385371
Prediction Result:
Active63.20%

ADA2A_HUMAN

Docking Scores:
-7.36 -7.25 -6.01
Similarity Score:
50.00%
Best Match:
CHEMBL6966
Prediction Result:
Active84.84%

ADA2B_HUMAN

Docking Scores:
-8.13 -8.38 -8.25
Similarity Score:
45.05%
Best Match:
CHEMBL3735756
Prediction Result:
Active79.05%

ADA2C_HUMAN

Docking Scores:
-5.72 -4.93 -4.28
Similarity Score:
45.05%
Best Match:
CHEMBL3735756
Prediction Result:
Active51.15%

ADRB1_HUMAN

Docking Scores:
-7.51 -6.85 -7.45
Similarity Score:
49.44%
Best Match:
CHEMBL768
Prediction Result:
Active62.17%

ADRB2_HUMAN

Docking Scores:
-7.37 -7.64 -7.81
Similarity Score:
47.78%
Best Match:
CHEMBL3099663
Prediction Result:
N/A

ADRB3_HUMAN

Docking Scores:
-7.81 -8.56 -7.69
Similarity Score:
45.87%
Best Match:
CHEMBL1201237
Prediction Result:
N/A

AGTR2_HUMAN

Docking Scores:
-7.23 -7.13 -5.88
Similarity Score:
36.94%
Best Match:
CHEMBL154057
Prediction Result:
N/A

BKRB2_HUMAN

Docking Scores:
-7.41 -8.05 -7.46
Similarity Score:
28.92%
Best Match:
CHEMBL2105864
Prediction Result:
Inactive87.19%

CALCR_HUMAN

Docking Scores:
-6.43 -6.35 -6.16
Similarity Score:
29.30%
Best Match:
CHEMBL2369895
Prediction Result:
Inactive88.04%

CCKAR_HUMAN

Docking Scores:
-6.69 -6.51 -6.99
Similarity Score:
30.87%
Best Match:
CHEMBL382051
Prediction Result:
Inactive91.87%

CCR1_HUMAN

Docking Scores:
-6.80 -6.93 -6.38
Similarity Score:
43.52%
Best Match:
CHEMBL143690
Prediction Result:
Inactive97.98%

CCR2_HUMAN

Docking Scores:
-6.95 -7.02 -6.31
Similarity Score:
44.09%
Best Match:
CHEMBL3753178
Prediction Result:
Inactive97.26%

CCR4_HUMAN

Docking Scores:
-6.39 -6.82 -7.31
Similarity Score:
29.82%
Best Match:
CHEMBL1621896
Prediction Result:
Inactive83.55%

CCR5_HUMAN

Docking Scores:
-6.87 -6.77 -6.96
Similarity Score:
44.12%
Best Match:
CHEMBL182682
Prediction Result:
Inactive95.05%

CLTR1_HUMAN

Docking Scores:
-7.79 -8.22 -8.57
Similarity Score:
35.45%
Best Match:
CHEMBL22776
Prediction Result:
Inactive91.98%

CNR1_HUMAN

Docking Scores:
-7.80 -7.32 -7.71
Similarity Score:
62.64%
Best Match:
CHEMBL947
Prediction Result:
N/A

CNR2_HUMAN

Docking Scores:
-7.52 -7.80
Similarity Score:
66.67%
Best Match:
CHEMBL1923764
Prediction Result:
N/A

CXCR1_HUMAN

Docking Scores:
-6.98
Similarity Score:
26.55%
Best Match:
CHEMBL522959
Prediction Result:
N/A

CXCR2_HUMAN

Docking Scores:
-7.21 -6.20 -5.46
Similarity Score:
39.67%
Best Match:
CHEMBL3645131
Prediction Result:
Inactive53.93%

CXCR3_HUMAN

Docking Scores:
-7.21 -7.10 -7.43
Similarity Score:
42.64%
Best Match:
CHEMBL3700578
Prediction Result:
Inactive97.52%

CXCR4_HUMAN

Docking Scores:
-6.81 -6.19 -6.04
Similarity Score:
34.95%
Best Match:
CHEMBL126657
Prediction Result:
N/A

DRD1_HUMAN

Docking Scores:
-7.16 -6.85 -7.26
Similarity Score:
50.57%
Best Match:
CHEMBL3800636
Prediction Result:
Inactive51.81%

DRD2_HUMAN

Docking Scores:
-6.54
Similarity Score:
52.04%
Best Match:
CHEMBL330865
Prediction Result:
N/A

DRD3_HUMAN

Docking Scores:
-7.61
Similarity Score:
51.40%
Best Match:
CHEMBL3664834
Prediction Result:
N/A

DRD4_HUMAN

Docking Scores:
-7.78 -7.63
Similarity Score:
50.57%
Best Match:
CHEMBL3800636
Prediction Result:
N/A

DRD5_HUMAN

Docking Scores:
-7.40 -8.02 -7.95
Similarity Score:
46.07%
Best Match:
CHEMBL231171
Prediction Result:
Active64.50%

EDNRA_HUMAN

Docking Scores:
-5.46 -6.31 -6.14
Similarity Score:
60.00%
Best Match:
CHEMBL38537
Prediction Result:
Inactive52.51%

GABR1_HUMAN

Docking Scores:
-6.03 -6.59 -6.33
Similarity Score:
19.85%
Best Match:
CHEMBL2391908
Prediction Result:
Inactive89.80%

GASR_HUMAN

Docking Scores:
-6.23 -6.86 -5.15
Similarity Score:
37.29%
Best Match:
CHEMBL1171596
Prediction Result:
Inactive87.76%

GRM1_HUMAN

Docking Scores:
-7.61 -8.12 -7.86
Similarity Score:
49.43%
Best Match:
CHEMBL254372
Prediction Result:
Inactive50.66%

GRM2_HUMAN

Docking Scores:
-6.26 -7.06 -6.53
Similarity Score:
68.75%
Best Match:
CHEMBL341457
Prediction Result:
Active91.89%

GRM3_HUMAN

Docking Scores:
-8.24 -8.60 -8.38
Similarity Score:
68.75%
Best Match:
CHEMBL341457
Prediction Result:
Active86.39%

GRM4_HUMAN

Docking Scores:
-4.94 -5.58 -5.46
Similarity Score:
25.13%
Best Match:
CHEMBL2063423
Prediction Result:
Inactive97.48%

GRM5_HUMAN

Docking Scores:
-7.94 -8.53 -8.62
Similarity Score:
42.00%
Best Match:
CHEMBL1682820
Prediction Result:
N/A

GRM6_HUMAN

Docking Scores:
-6.86 -7.73 -7.02
Similarity Score:
22.08%
Best Match:
CHEMBL280563
Prediction Result:
Inactive98.41%

GRM7_HUMAN

Docking Scores:
-6.92 -6.22 -6.49
Similarity Score:
49.00%
Best Match:
CHEMBL432038
Prediction Result:
Inactive99.99%

GRM8_HUMAN

Docking Scores:
-5.50 -5.55 -5.31
Similarity Score:
49.00%
Best Match:
CHEMBL432038
Prediction Result:
Inactive96.70%

HRH1_HUMAN

Docking Scores:
-7.68
Similarity Score:
54.44%
Best Match:
CHEMBL59798
Prediction Result:
N/A

HRH2_HUMAN

Docking Scores:
-8.17 -6.77 -8.03
Similarity Score:
44.21%
Best Match:
CHEMBL2205811
Prediction Result:
Active94.28%

HRH3_HUMAN

Docking Scores:
-7.23 -6.37 -6.41
Similarity Score:
56.32%
Best Match:
CHEMBL1824229
Prediction Result:
Active92.31%

HRH4_HUMAN

Docking Scores:
-7.37 -7.20 -7.51
Similarity Score:
42.45%
Best Match:
CHEMBL14638
Prediction Result:
Active76.99%

MC3R_HUMAN

Docking Scores:
-7.03 -6.26 -6.55
Similarity Score:
35.62%
Best Match:
CHEMBL192450
Prediction Result:
Inactive66.51%

MC4R_HUMAN

Docking Scores:
-5.56 -6.40 -6.02
Similarity Score:
38.00%
Best Match:
CHEMBL225856
Prediction Result:
Inactive65.10%

MC5R_HUMAN

Docking Scores:
-6.20 -7.17 -5.85
Similarity Score:
35.11%
Best Match:
CHEMBL363019
Prediction Result:
Inactive62.22%

MSHR_HUMAN

Docking Scores:
-7.42 -6.79 -7.61
Similarity Score:
35.16%
Best Match:
CHEMBL3951584
Prediction Result:
Inactive63.79%

NK1R_HUMAN

Docking Scores:
-6.80 -7.22 -6.50
Similarity Score:
43.93%
Best Match:
CHEMBL1817892
Prediction Result:
N/A

NK2R_HUMAN

Docking Scores:
-6.20 -6.77 -5.92
Similarity Score:
39.60%
Best Match:
CHEMBL1083974
Prediction Result:
Inactive98.33%

NPBW1_HUMAN

Docking Scores:
-5.83 -5.56 -6.74
Similarity Score:
33.54%
Best Match:
CHEMBL2001553
Prediction Result:
Inactive92.19%

NPFF1_HUMAN

Docking Scores:
-6.09 -6.20 -6.44
Similarity Score:
31.62%
Best Match:
CHEMBL2208334
Prediction Result:
Inactive79.58%

NPSR1_HUMAN

Docking Scores:
-6.16 -7.52 -7.00
Similarity Score:
31.74%
Best Match:
CHEMBL1801360
Prediction Result:
Inactive78.37%

NPY1R_HUMAN

Docking Scores:
-7.78 -7.08 -6.81
Similarity Score:
50.67%
Best Match:
CHEMBL3559801
Prediction Result:
N/A

NPY2R_HUMAN

Docking Scores:
-6.32 -6.54 -6.35
Similarity Score:
50.67%
Best Match:
CHEMBL3559801
Prediction Result:
Active57.78%

NPY4R_HUMAN

Docking Scores:
-6.83 -6.78 -6.02
Similarity Score:
50.67%
Best Match:
CHEMBL3559801
Prediction Result:
Active96.37%

NPY5R_HUMAN

Docking Scores:
-6.30 -6.46 -6.79
Similarity Score:
51.61%
Best Match:
CHEMBL68467
Prediction Result:
Inactive65.79%

OPRD_HUMAN

Docking Scores:
-6.27 -5.65 -5.95
Similarity Score:
57.65%
Best Match:
CHEMBL1237044
Prediction Result:
N/A

OPRK_HUMAN

Docking Scores:
-7.47 -7.25 -6.59
Similarity Score:
57.89%
Best Match:
CHEMBL2022021
Prediction Result:
N/A

OPRM_HUMAN

Docking Scores:
-7.08 -6.32 -6.47
Similarity Score:
55.10%
Best Match:
CHEMBL3976681
Prediction Result:
Inactive73.25%

OPRX_HUMAN

Docking Scores:
-6.44 -5.52 -6.52
Similarity Score:
46.51%
Best Match:
CHEMBL3919659
Prediction Result:
N/A

PTAFR_HUMAN

Docking Scores:
-6.76 -6.68 -6.90
Similarity Score:
59.30%
Best Match:
CHEMBL297624
Prediction Result:
Active73.02%

TAAR1_HUMAN

Docking Scores:
-7.94 -7.59 -7.44
Similarity Score:
47.66%
Best Match:
CHEMBL1379139
Prediction Result:
Active81.21%

TSHR_HUMAN

Docking Scores:
-6.63 -7.80 -6.81
Similarity Score:
27.21%
Best Match:
CHEMBL3913851
Prediction Result:
Inactive94.26%

V1AR_HUMAN

Docking Scores:
-6.44 -6.21 -7.39
Similarity Score:
36.44%
Best Match:
CHEMBL1807268
Prediction Result:
Inactive95.12%

VIPR1_HUMAN

Docking Scores:
-6.85 -7.15 -7.36
Similarity Score:
25.14%
Best Match:
CHEMBL3884667
Prediction Result:
N/A