chenyan1 #43 Output Download CSV

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

Docking Scores:
-11.05 -9.94 -9.92
Similarity Score:
46.19%
Best Match:
CHEMBL1242904
Prediction Result:
Active73.03%

5HT1B_HUMAN

Docking Scores:
-11.81 -11.65 -11.02
Similarity Score:
46.19%
Best Match:
CHEMBL1242904
Prediction Result:
N/A

5HT1D_HUMAN

Docking Scores:
-11.77 -10.70 -10.65
Similarity Score:
46.19%
Best Match:
CHEMBL1242904
Prediction Result:
N/A

5HT1E_HUMAN

Docking Scores:
-10.70 -8.38 -10.46
Similarity Score:
33.70%
Best Match:
CHEMBL267615
Prediction Result:
Inactive58.67%

5HT1F_HUMAN

Docking Scores:
-10.78 -11.28 -10.60
Similarity Score:
33.67%
Best Match:
CHEMBL497963
Prediction Result:
Inactive59.85%

5HT2A_HUMAN

Docking Scores:
-12.02 -11.25
Similarity Score:
45.05%
Best Match:
CHEMBL1222553
Prediction Result:
N/A

5HT2B_HUMAN

Docking Scores:
-11.85 -10.97 -10.86
Similarity Score:
44.83%
Best Match:
CHEMBL1222624
Prediction Result:
N/A

5HT2C_HUMAN

Docking Scores:
-11.49 -10.94
Similarity Score:
45.05%
Best Match:
CHEMBL1222554
Prediction Result:
N/A

5HT4R_HUMAN

Docking Scores:
-11.93 -12.08 -10.15
Similarity Score:
37.07%
Best Match:
CHEMBL2402898
Prediction Result:
Active51.32%

5HT5A_HUMAN

Docking Scores:
-9.76 -9.54 -10.25
Similarity Score:
42.64%
Best Match:
CHEMBL435814
Prediction Result:
Active74.58%

5HT6R_HUMAN

Docking Scores:
-12.04 -10.48 -11.68
Similarity Score:
44.21%
Best Match:
CHEMBL3409251
Prediction Result:
Active87.82%

5HT7R_HUMAN

Docking Scores:
-11.28 -10.82 -10.79
Similarity Score:
45.36%
Best Match:
CHEMBL476862
Prediction Result:
Active69.22%

AA1R_HUMAN

Docking Scores:
-9.90 -11.22 -6.98
Similarity Score:
46.60%
Best Match:
CHEMBL3317571
Prediction Result:
N/A

AA2AR_HUMAN

Docking Scores:
-10.68 -10.89 -9.65
Similarity Score:
53.23%
Best Match:
CHEMBL2312988
Prediction Result:
N/A

AA2BR_HUMAN

Docking Scores:
-10.72 -11.12 -10.29
Similarity Score:
40.60%
Best Match:
CHEMBL260692
Prediction Result:
Inactive63.01%

AA3R_HUMAN

Docking Scores:
-1.18 -4.19 0.18
Similarity Score:
41.38%
Best Match:
CHEMBL4062581
Prediction Result:
Inactive99.99%

ACM1_HUMAN

Docking Scores:
-9.29 33.28
Similarity Score:
41.75%
Best Match:
CHEMBL603713
Prediction Result:
N/A

ACM2_HUMAN

Docking Scores:
-11.64 -10.56 -7.24
Similarity Score:
37.93%
Best Match:
CHEMBL296419
Prediction Result:
Active63.55%

ACM3_HUMAN

Docking Scores:
-10.87 -12.54 -11.04
Similarity Score:
40.30%
Best Match:
CHEMBL1836644
Prediction Result:
Active60.90%

ACM4_HUMAN

Docking Scores:
-7.42 -8.17
Similarity Score:
39.50%
Best Match:
CHEMBL3808485
Prediction Result:
N/A

ACM5_HUMAN

Docking Scores:
-10.78 -9.74 -11.43
Similarity Score:
37.93%
Best Match:
CHEMBL296419
Prediction Result:
Active82.12%

ACTHR_HUMAN

Docking Scores:
-11.97 -10.95 -8.54
Similarity Score:
N/A
Best Match:
N/A
Prediction Result:
N/A

ADA1D_HUMAN

Docking Scores:
-10.81 -9.85 -10.97
Similarity Score:
38.92%
Best Match:
CHEMBL3809093
Prediction Result:
Active61.22%

ADA2A_HUMAN

Docking Scores:
12.32 15.20 18.65
Similarity Score:
36.67%
Best Match:
CHEMBL218730
Prediction Result:
Inactive99.99%

ADA2B_HUMAN

Docking Scores:
-12.71 -12.13 -11.63
Similarity Score:
36.67%
Best Match:
CHEMBL218730
Prediction Result:
Inactive55.49%

ADA2C_HUMAN

Docking Scores:
31.22 32.47 8.88
Similarity Score:
37.93%
Best Match:
CHEMBL296419
Prediction Result:
Inactive99.99%

ADRB1_HUMAN

Docking Scores:
-10.98 -11.78 -11.74
Similarity Score:
45.89%
Best Match:
CHEMBL467298
Prediction Result:
Inactive66.01%

ADRB2_HUMAN

Docking Scores:
-10.16 -9.78 -11.94
Similarity Score:
40.54%
Best Match:
CHEMBL461463
Prediction Result:
N/A

ADRB3_HUMAN

Docking Scores:
-10.80 -12.12 -10.81
Similarity Score:
40.29%
Best Match:
CHEMBL467103
Prediction Result:
N/A

AGTR2_HUMAN

Docking Scores:
-10.00 -10.59 -11.64
Similarity Score:
38.53%
Best Match:
CHEMBL40381
Prediction Result:
N/A

BKRB2_HUMAN

Docking Scores:
-11.85 -12.21 -11.72
Similarity Score:
44.68%
Best Match:
CHEMBL544623
Prediction Result:
Active63.85%

CALCR_HUMAN

Docking Scores:
-9.67 -10.41 -9.78
Similarity Score:
27.03%
Best Match:
CHEMBL2369897
Prediction Result:
Inactive97.68%

CCKAR_HUMAN

Docking Scores:
-9.45 -8.96 -9.48
Similarity Score:
43.64%
Best Match:
CHEMBL479030
Prediction Result:
Inactive54.90%

CCR1_HUMAN

Docking Scores:
-10.50 -9.02 -9.45
Similarity Score:
36.62%
Best Match:
CHEMBL1784685
Prediction Result:
Active54.41%

CCR2_HUMAN

Docking Scores:
-9.06 -9.50 -9.33
Similarity Score:
37.14%
Best Match:
CHEMBL2018534
Prediction Result:
Inactive53.00%

CCR4_HUMAN

Docking Scores:
-8.89 -9.28 -10.12
Similarity Score:
36.36%
Best Match:
CHEMBL2435852
Prediction Result:
Active58.88%

CCR5_HUMAN

Docking Scores:
-9.86 -9.35 -9.47
Similarity Score:
37.50%
Best Match:
CHEMBL499109
Prediction Result:
Inactive52.73%

CLTR1_HUMAN

Docking Scores:
-10.11 -11.33 -12.17
Similarity Score:
41.78%
Best Match:
CHEMBL1214532
Prediction Result:
Active72.44%

CNR1_HUMAN

Docking Scores:
-9.47 -10.37 -9.45
Similarity Score:
42.50%
Best Match:
CHEMBL1224370
Prediction Result:
N/A

CNR2_HUMAN

Docking Scores:
-12.83 -12.61
Similarity Score:
46.43%
Best Match:
CHEMBL471992
Prediction Result:
N/A

CXCR1_HUMAN

Docking Scores:
-0.43
Similarity Score:
27.19%
Best Match:
CHEMBL3609013
Prediction Result:
N/A

CXCR2_HUMAN

Docking Scores:
-11.07 -9.12 -8.85
Similarity Score:
36.62%
Best Match:
CHEMBL1784685
Prediction Result:
Inactive75.52%

CXCR3_HUMAN

Docking Scores:
-11.53 -10.86 -11.55
Similarity Score:
45.98%
Best Match:
CHEMBL1077807
Prediction Result:
Active66.33%

CXCR4_HUMAN

Docking Scores:
-10.82 -8.87 -9.37
Similarity Score:
36.70%
Best Match:
CHEMBL583443
Prediction Result:
N/A

DRD1_HUMAN

Docking Scores:
-10.75 -9.74 -12.33
Similarity Score:
42.08%
Best Match:
CHEMBL3671296
Prediction Result:
Active79.59%

DRD2_HUMAN

Docking Scores:
-11.18
Similarity Score:
50.00%
Best Match:
CHEMBL111054
Prediction Result:
N/A

DRD3_HUMAN

Docking Scores:
-9.74
Similarity Score:
52.87%
Best Match:
CHEMBL313692
Prediction Result:
N/A

DRD4_HUMAN

Docking Scores:
-12.03 -12.32
Similarity Score:
40.74%
Best Match:
CHEMBL210551
Prediction Result:
N/A

DRD5_HUMAN

Docking Scores:
-9.41 -11.79 -8.30
Similarity Score:
36.49%
Best Match:
CHEMBL4087909
Prediction Result:
Inactive82.79%

EDNRA_HUMAN

Docking Scores:
-9.60 -8.83 -9.40
Similarity Score:
40.25%
Best Match:
CHEMBL3753134
Prediction Result:
Active50.44%

GABR1_HUMAN

Docking Scores:
24.82 13.24 ?
Similarity Score:
?
Best Match:
?
Prediction Result:
?

GASR_HUMAN

Docking Scores:
-10.06 -8.41 -8.07
Similarity Score:
44.55%
Best Match:
CHEMBL37312
Prediction Result:
Active51.75%

GRM1_HUMAN

Docking Scores:
-11.12 -10.74 -1.96
Similarity Score:
39.15%
Best Match:
CHEMBL3968177
Prediction Result:
Inactive99.99%

GRM2_HUMAN

Docking Scores:
26.86 27.69 28.17
Similarity Score:
41.67%
Best Match:
CHEMBL594236
Prediction Result:
Inactive99.99%

GRM3_HUMAN

Docking Scores:
11.49 1.75 -5.90
Similarity Score:
37.80%
Best Match:
CHEMBL3401177
Prediction Result:
Inactive99.99%

GRM4_HUMAN

Docking Scores:
27.04 17.68 18.98
Similarity Score:
39.42%
Best Match:
CHEMBL3560922
Prediction Result:
Inactive99.99%

GRM5_HUMAN

Docking Scores:
-8.10 4.54 -1.81
Similarity Score:
48.85%
Best Match:
CHEMBL207733
Prediction Result:
N/A

GRM6_HUMAN

Docking Scores:
0.24 3.92 4.58
Similarity Score:
30.87%
Best Match:
CHEMBL1585091
Prediction Result:
Inactive99.99%

GRM7_HUMAN

Docking Scores:
0.78 2.26 2.40
Similarity Score:
39.42%
Best Match:
CHEMBL3560922
Prediction Result:
Inactive99.99%

GRM8_HUMAN

Docking Scores:
15.79 13.24 22.36
Similarity Score:
39.42%
Best Match:
CHEMBL3560922
Prediction Result:
Inactive99.99%

HRH1_HUMAN

Docking Scores:
-6.51
Similarity Score:
46.80%
Best Match:
CHEMBL3952802
Prediction Result:
N/A

HRH2_HUMAN

Docking Scores:
-11.29 -10.46 -9.93
Similarity Score:
36.73%
Best Match:
CHEMBL1086105
Prediction Result:
Active98.47%

HRH3_HUMAN

Docking Scores:
-9.96 -11.21 -10.22
Similarity Score:
59.34%
Best Match:
CHEMBL497355
Prediction Result:
Active86.72%

HRH4_HUMAN

Docking Scores:
-10.29 -10.43 -8.94
Similarity Score:
49.16%
Best Match:
CHEMBL220933
Prediction Result:
Inactive68.39%

MC3R_HUMAN

Docking Scores:
-11.10 -11.17 -10.42
Similarity Score:
37.67%
Best Match:
CHEMBL392092
Prediction Result:
Active56.52%

MC4R_HUMAN

Docking Scores:
-9.34 -8.86 -8.67
Similarity Score:
45.20%
Best Match:
CHEMBL1699140
Prediction Result:
Inactive57.89%

MC5R_HUMAN

Docking Scores:
-8.27 -9.95 -7.60
Similarity Score:
33.88%
Best Match:
CHEMBL503229
Prediction Result:
Inactive71.87%

MSHR_HUMAN

Docking Scores:
-9.23 -9.75 -10.00
Similarity Score:
34.62%
Best Match:
CHEMBL2112918
Prediction Result:
Inactive51.34%

NK1R_HUMAN

Docking Scores:
-9.92 -10.44 -10.37
Similarity Score:
41.12%
Best Match:
CHEMBL47070
Prediction Result:
N/A

NK2R_HUMAN

Docking Scores:
-10.48 -11.07 -10.77
Similarity Score:
37.93%
Best Match:
CHEMBL296419
Prediction Result:
Active67.93%

NPBW1_HUMAN

Docking Scores:
-9.98 -9.81 -10.10
Similarity Score:
33.47%
Best Match:
CHEMBL1981304
Prediction Result:
Inactive51.43%

NPFF1_HUMAN

Docking Scores:
-10.42 -9.31 -9.56
Similarity Score:
30.47%
Best Match:
CHEMBL376756
Prediction Result:
Inactive58.94%

NPSR1_HUMAN

Docking Scores:
-11.23 -11.66 -11.09
Similarity Score:
34.23%
Best Match:
CHEMBL3086836
Prediction Result:
Active90.75%

NPY1R_HUMAN

Docking Scores:
-11.23 -10.43 -10.15
Similarity Score:
44.08%
Best Match:
CHEMBL346243
Prediction Result:
N/A

NPY2R_HUMAN

Docking Scores:
-9.51 -10.94 -9.89
Similarity Score:
33.06%
Best Match:
CHEMBL438935
Prediction Result:
Inactive59.37%

NPY4R_HUMAN

Docking Scores:
-10.72 -11.39 -10.88
Similarity Score:
30.14%
Best Match:
CHEMBL2371909
Prediction Result:
Inactive99.60%

NPY5R_HUMAN

Docking Scores:
-9.17 -9.18 -9.69
Similarity Score:
36.17%
Best Match:
CHEMBL417225
Prediction Result:
Active63.90%

OPRD_HUMAN

Docking Scores:
-9.16 -8.61 -8.83
Similarity Score:
39.74%
Best Match:
CHEMBL561138
Prediction Result:
N/A

OPRK_HUMAN

Docking Scores:
-11.79 -9.89 -10.89
Similarity Score:
37.95%
Best Match:
CHEMBL480425
Prediction Result:
N/A

OPRM_HUMAN

Docking Scores:
-10.61 -9.42 -8.95
Similarity Score:
44.33%
Best Match:
CHEMBL258781
Prediction Result:
Active63.36%

OPRX_HUMAN

Docking Scores:
-9.87 -9.70 -9.91
Similarity Score:
44.33%
Best Match:
CHEMBL258781
Prediction Result:
N/A

PTAFR_HUMAN

Docking Scores:
-9.84 -9.68 -9.58
Similarity Score:
43.84%
Best Match:
CHEMBL37602
Prediction Result:
Active67.38%

TAAR1_HUMAN

Docking Scores:
-12.14 -11.91 -11.39
Similarity Score:
33.52%
Best Match:
CHEMBL1549077
Prediction Result:
Inactive65.87%

TSHR_HUMAN

Docking Scores:
-10.68 -11.65 -9.69
Similarity Score:
38.25%
Best Match:
CHEMBL1357440
Prediction Result:
Active72.39%

V1AR_HUMAN

Docking Scores:
-10.60 -10.23 -10.88
Similarity Score:
38.54%
Best Match:
CHEMBL330510
Prediction Result:
Active74.72%

VIPR1_HUMAN

Docking Scores:
-10.76 -10.02 -10.85
Similarity Score:
36.62%
Best Match:
CHEMBL1784685
Prediction Result:
N/A