WangYuanqiang #189 Output Download CSV

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

Docking Scores:
-6.82 -7.05 -6.80
Similarity Score:
39.13%
Best Match:
CHEMBL3769446
Prediction Result:
Active59.82%

5HT1B_HUMAN

Docking Scores:
-6.95 -7.25 -7.17
Similarity Score:
38.89%
Best Match:
CHEMBL73281
Prediction Result:
N/A

5HT1D_HUMAN

Docking Scores:
-7.05 -7.16 -5.97
Similarity Score:
38.89%
Best Match:
CHEMBL73281
Prediction Result:
N/A

5HT1E_HUMAN

Docking Scores:
-6.82 -6.57 -6.82
Similarity Score:
22.22%
Best Match:
CHEMBL39
Prediction Result:
Inactive61.19%

5HT1F_HUMAN

Docking Scores:
-6.76 -7.76 -6.93
Similarity Score:
24.30%
Best Match:
CHEMBL318110
Prediction Result:
Inactive74.81%

5HT2A_HUMAN

Docking Scores:
-7.38 -7.27
Similarity Score:
50.00%
Best Match:
CHEMBL104088
Prediction Result:
N/A

5HT2B_HUMAN

Docking Scores:
-7.22 -8.14 -7.29
Similarity Score:
52.00%
Best Match:
CHEMBL475643
Prediction Result:
N/A

5HT2C_HUMAN

Docking Scores:
-8.00 -8.13
Similarity Score:
52.00%
Best Match:
CHEMBL475643
Prediction Result:
N/A

5HT4R_HUMAN

Docking Scores:
-8.03 -7.98 -7.30
Similarity Score:
25.00%
Best Match:
CHEMBL309655
Prediction Result:
Inactive80.89%

5HT5A_HUMAN

Docking Scores:
-7.24 -7.05 -6.97
Similarity Score:
30.53%
Best Match:
CHEMBL161507
Prediction Result:
Inactive62.98%

5HT6R_HUMAN

Docking Scores:
-6.65 -6.71 -7.25
Similarity Score:
39.39%
Best Match:
CHEMBL17157
Prediction Result:
Inactive50.53%

5HT7R_HUMAN

Docking Scores:
-6.95 -7.71 -6.75
Similarity Score:
42.11%
Best Match:
CHEMBL443757
Prediction Result:
Inactive57.08%

AA1R_HUMAN

Docking Scores:
-7.23 -7.03 -7.92
Similarity Score:
31.46%
Best Match:
CHEMBL1544
Prediction Result:
N/A

AA2AR_HUMAN

Docking Scores:
-7.12 -7.39 -7.43
Similarity Score:
26.39%
Best Match:
CHEMBL86771
Prediction Result:
N/A

AA2BR_HUMAN

Docking Scores:
-7.21 -7.27 -6.80
Similarity Score:
28.33%
Best Match:
CHEMBL2113345
Prediction Result:
Inactive57.74%

AA3R_HUMAN

Docking Scores:
-8.05 -8.09 -7.02
Similarity Score:
50.00%
Best Match:
CHEMBL701
Prediction Result:
Active70.42%

ACM1_HUMAN

Docking Scores:
-7.76 -7.22
Similarity Score:
51.52%
Best Match:
CHEMBL2164888
Prediction Result:
N/A

ACM2_HUMAN

Docking Scores:
-7.18 -6.57 -7.75
Similarity Score:
50.75%
Best Match:
CHEMBL1191560
Prediction Result:
Inactive53.37%

ACM3_HUMAN

Docking Scores:
-6.70 -7.44 -7.82
Similarity Score:
50.75%
Best Match:
CHEMBL1191560
Prediction Result:
Active54.60%

ACM4_HUMAN

Docking Scores:
-7.86 -7.83
Similarity Score:
50.00%
Best Match:
CHEMBL2377392
Prediction Result:
N/A

ACM5_HUMAN

Docking Scores:
-7.33 -7.42 -7.95
Similarity Score:
48.57%
Best Match:
CHEMBL2107687
Prediction Result:
Active85.92%

ACTHR_HUMAN

Docking Scores:
-8.01 -7.90 -7.87
Similarity Score:
N/A
Best Match:
N/A
Prediction Result:
N/A

ADA1D_HUMAN

Docking Scores:
-6.63 -6.85 -6.99
Similarity Score:
42.35%
Best Match:
CHEMBL41677
Prediction Result:
Active57.19%

ADA2A_HUMAN

Docking Scores:
-7.33 -7.61 -6.44
Similarity Score:
54.35%
Best Match:
CHEMBL61006
Prediction Result:
Active93.33%

ADA2B_HUMAN

Docking Scores:
-8.31 -8.28 -8.42
Similarity Score:
41.27%
Best Match:
CHEMBL1076211
Prediction Result:
Active73.13%

ADA2C_HUMAN

Docking Scores:
-4.92 -4.32 -4.52
Similarity Score:
39.39%
Best Match:
CHEMBL17157
Prediction Result:
Inactive68.39%

ADRB1_HUMAN

Docking Scores:
-7.02 -7.40 -7.53
Similarity Score:
42.67%
Best Match:
CHEMBL408694
Prediction Result:
Active69.45%

ADRB2_HUMAN

Docking Scores:
-6.74 -8.09 -7.38
Similarity Score:
37.33%
Best Match:
CHEMBL1332942
Prediction Result:
N/A

ADRB3_HUMAN

Docking Scores:
-7.29 -8.34 -7.06
Similarity Score:
42.67%
Best Match:
CHEMBL408694
Prediction Result:
N/A

AGTR2_HUMAN

Docking Scores:
-7.17 -7.19 -6.89
Similarity Score:
30.69%
Best Match:
CHEMBL128416
Prediction Result:
N/A

BKRB2_HUMAN

Docking Scores:
-7.38 -7.59 -7.37
Similarity Score:
30.56%
Best Match:
CHEMBL121565
Prediction Result:
Inactive84.08%

CALCR_HUMAN

Docking Scores:
-6.40 -6.58 -6.53
Similarity Score:
18.79%
Best Match:
CHEMBL2369895
Prediction Result:
Inactive93.37%

CCKAR_HUMAN

Docking Scores:
-6.47 -6.60 -7.78
Similarity Score:
23.84%
Best Match:
CHEMBL249560
Prediction Result:
Inactive94.40%

CCR1_HUMAN

Docking Scores:
-7.52 -8.00 -6.43
Similarity Score:
40.45%
Best Match:
CHEMBL356718
Prediction Result:
Inactive97.94%

CCR2_HUMAN

Docking Scores:
-6.88 -6.85 -6.44
Similarity Score:
37.97%
Best Match:
CHEMBL3754764
Prediction Result:
Inactive98.37%

CCR4_HUMAN

Docking Scores:
-6.43 -6.60 -8.09
Similarity Score:
19.67%
Best Match:
CHEMBL397845
Prediction Result:
Inactive85.00%

CCR5_HUMAN

Docking Scores:
-6.71 -6.69 -6.85
Similarity Score:
45.57%
Best Match:
CHEMBL100336
Prediction Result:
Inactive95.44%

CLTR1_HUMAN

Docking Scores:
-6.90 -7.49 -8.13
Similarity Score:
33.70%
Best Match:
CHEMBL22776
Prediction Result:
Inactive96.38%

CNR1_HUMAN

Docking Scores:
-7.43 -7.51 -7.98
Similarity Score:
51.61%
Best Match:
CHEMBL391380
Prediction Result:
N/A

CNR2_HUMAN

Docking Scores:
-7.61 -7.51
Similarity Score:
55.32%
Best Match:
CHEMBL264412
Prediction Result:
N/A

CXCR1_HUMAN

Docking Scores:
-7.43
Similarity Score:
44.62%
Best Match:
CHEMBL191413
Prediction Result:
N/A

CXCR2_HUMAN

Docking Scores:
-7.23 -6.36 -5.85
Similarity Score:
44.62%
Best Match:
CHEMBL191413
Prediction Result:
Active62.54%

CXCR3_HUMAN

Docking Scores:
-7.86 -7.71 -7.68
Similarity Score:
29.91%
Best Match:
CHEMBL458422
Prediction Result:
Inactive97.88%

CXCR4_HUMAN

Docking Scores:
-8.11 -5.46 -6.38
Similarity Score:
25.00%
Best Match:
CHEMBL2180085
Prediction Result:
N/A

DRD1_HUMAN

Docking Scores:
-7.30 -6.61 -7.22
Similarity Score:
34.52%
Best Match:
CHEMBL305660
Prediction Result:
Inactive73.70%

DRD2_HUMAN

Docking Scores:
-7.04
Similarity Score:
38.89%
Best Match:
CHEMBL1258270
Prediction Result:
N/A

DRD3_HUMAN

Docking Scores:
-7.07
Similarity Score:
39.71%
Best Match:
CHEMBL1765637
Prediction Result:
N/A

DRD4_HUMAN

Docking Scores:
-7.20 -7.21
Similarity Score:
38.89%
Best Match:
CHEMBL1258270
Prediction Result:
N/A

DRD5_HUMAN

Docking Scores:
-7.94 -7.63 -7.47
Similarity Score:
32.95%
Best Match:
CHEMBL54
Prediction Result:
Inactive82.35%

EDNRA_HUMAN

Docking Scores:
-5.92 -6.43 -6.41
Similarity Score:
38.89%
Best Match:
CHEMBL290026
Prediction Result:
Inactive80.32%

GABR1_HUMAN

Docking Scores:
-6.52 -6.46 -7.83
Similarity Score:
19.13%
Best Match:
CHEMBL2391908
Prediction Result:
Inactive91.33%

GASR_HUMAN

Docking Scores:
-6.50 -6.90 -6.01
Similarity Score:
28.89%
Best Match:
CHEMBL38874
Prediction Result:
Inactive91.59%

GRM1_HUMAN

Docking Scores:
-7.73 -8.06 -8.18
Similarity Score:
36.84%
Best Match:
CHEMBL254372
Prediction Result:
Inactive69.71%

GRM2_HUMAN

Docking Scores:
-7.64 -8.43 -8.06
Similarity Score:
44.44%
Best Match:
CHEMBL2112585
Prediction Result:
Active69.17%

GRM3_HUMAN

Docking Scores:
-9.47 -9.02 -9.18
Similarity Score:
44.44%
Best Match:
CHEMBL2112584
Prediction Result:
Active52.30%

GRM4_HUMAN

Docking Scores:
-6.54 -6.60 -6.46
Similarity Score:
22.14%
Best Match:
CHEMBL3901929
Prediction Result:
Inactive94.04%

GRM5_HUMAN

Docking Scores:
-7.45 -8.06 -8.11
Similarity Score:
42.65%
Best Match:
CHEMBL1682794
Prediction Result:
N/A

GRM6_HUMAN

Docking Scores:
-8.14 -8.04 -8.26
Similarity Score:
17.24%
Best Match:
CHEMBL280563
Prediction Result:
Inactive97.74%

GRM7_HUMAN

Docking Scores:
-6.90 -6.67 -7.03
Similarity Score:
29.47%
Best Match:
CHEMBL432038
Prediction Result:
Inactive99.99%

GRM8_HUMAN

Docking Scores:
-6.07 -6.97 -6.87
Similarity Score:
46.38%
Best Match:
CHEMBL143210
Prediction Result:
Inactive97.98%

HRH1_HUMAN

Docking Scores:
-8.05
Similarity Score:
54.55%
Best Match:
CHEMBL914
Prediction Result:
N/A

HRH2_HUMAN

Docking Scores:
-8.42 -6.70 -8.56
Similarity Score:
37.65%
Best Match:
CHEMBL1627
Prediction Result:
Active93.25%

HRH3_HUMAN

Docking Scores:
-7.26 -6.71 -6.69
Similarity Score:
51.56%
Best Match:
CHEMBL3427233
Prediction Result:
Active78.55%

HRH4_HUMAN

Docking Scores:
-6.98 -7.06 -6.91
Similarity Score:
37.04%
Best Match:
CHEMBL489493
Prediction Result:
Active73.01%

MC3R_HUMAN

Docking Scores:
-7.39 -7.21 -6.33
Similarity Score:
27.62%
Best Match:
CHEMBL272099
Prediction Result:
Inactive74.74%

MC4R_HUMAN

Docking Scores:
-5.94 -5.99 -6.56
Similarity Score:
33.33%
Best Match:
CHEMBL371896
Prediction Result:
Inactive79.47%

MC5R_HUMAN

Docking Scores:
-6.21 -6.93 -6.18
Similarity Score:
26.17%
Best Match:
CHEMBL185862
Prediction Result:
Inactive57.35%

MSHR_HUMAN

Docking Scores:
-7.71 -6.93 -7.43
Similarity Score:
27.45%
Best Match:
CHEMBL1091631
Prediction Result:
Inactive75.49%

NK1R_HUMAN

Docking Scores:
-6.92 -7.25 -6.57
Similarity Score:
43.75%
Best Match:
CHEMBL56811
Prediction Result:
N/A

NK2R_HUMAN

Docking Scores:
-7.11 -7.78 -6.89
Similarity Score:
39.39%
Best Match:
CHEMBL17157
Prediction Result:
Inactive98.80%

NPBW1_HUMAN

Docking Scores:
-6.41 -6.11 -6.54
Similarity Score:
20.95%
Best Match:
CHEMBL2314288
Prediction Result:
Inactive95.46%

NPFF1_HUMAN

Docking Scores:
-6.83 -6.35 -6.45
Similarity Score:
27.55%
Best Match:
CHEMBL2208317
Prediction Result:
Inactive87.44%

NPSR1_HUMAN

Docking Scores:
-6.84 -7.49 -6.61
Similarity Score:
29.79%
Best Match:
CHEMBL3086828
Prediction Result:
Inactive80.29%

NPY1R_HUMAN

Docking Scores:
-7.70 -7.47 -7.37
Similarity Score:
32.22%
Best Match:
CHEMBL558133
Prediction Result:
N/A

NPY2R_HUMAN

Docking Scores:
-6.88 -6.27 -6.08
Similarity Score:
31.82%
Best Match:
CHEMBL3559801
Prediction Result:
Inactive61.05%

NPY4R_HUMAN

Docking Scores:
-6.77 -6.94 -6.50
Similarity Score:
31.82%
Best Match:
CHEMBL3559801
Prediction Result:
Active90.59%

NPY5R_HUMAN

Docking Scores:
-6.43 -6.44 -6.37
Similarity Score:
31.82%
Best Match:
CHEMBL3559801
Prediction Result:
Inactive89.35%

OPRD_HUMAN

Docking Scores:
-6.63 -6.50 -6.30
Similarity Score:
38.46%
Best Match:
CHEMBL201038
Prediction Result:
N/A

OPRK_HUMAN

Docking Scores:
-7.68 -7.49 -6.96
Similarity Score:
42.86%
Best Match:
CHEMBL651
Prediction Result:
N/A

OPRM_HUMAN

Docking Scores:
-6.72 -6.38 -7.00
Similarity Score:
48.57%
Best Match:
CHEMBL607
Prediction Result:
Inactive87.55%

OPRX_HUMAN

Docking Scores:
-6.35 -6.38 -6.89
Similarity Score:
41.86%
Best Match:
CHEMBL186300
Prediction Result:
N/A

PTAFR_HUMAN

Docking Scores:
-7.76 -7.73 -7.62
Similarity Score:
29.07%
Best Match:
CHEMBL297624
Prediction Result:
Inactive73.36%

TAAR1_HUMAN

Docking Scores:
-7.88 -7.11 -7.19
Similarity Score:
50.00%
Best Match:
CHEMBL19393
Prediction Result:
Active90.67%

TSHR_HUMAN

Docking Scores:
-7.49 -7.65 -7.45
Similarity Score:
24.32%
Best Match:
CHEMBL3969230
Prediction Result:
Inactive95.72%

V1AR_HUMAN

Docking Scores:
-6.54 -6.23 -7.88
Similarity Score:
35.23%
Best Match:
CHEMBL1807264
Prediction Result:
Inactive93.20%

VIPR1_HUMAN

Docking Scores:
-6.91 -6.67 -6.79
Similarity Score:
18.56%
Best Match:
CHEMBL3884667
Prediction Result:
N/A