YJING #61 Output Download CSV

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

Docking Scores:
-8.38 -9.15 -8.95
Similarity Score:
51.49%
Best Match:
CHEMBL200446
Prediction Result:
Active87.36%

5HT1B_HUMAN

Docking Scores:
-10.12 -10.00 -10.34
Similarity Score:
36.89%
Best Match:
CHEMBL144030
Prediction Result:
N/A

5HT1D_HUMAN

Docking Scores:
-10.15 -9.42 -9.21
Similarity Score:
36.89%
Best Match:
CHEMBL144030
Prediction Result:
N/A

5HT1E_HUMAN

Docking Scores:
-9.80 -10.29 -10.19
Similarity Score:
26.32%
Best Match:
CHEMBL2391541
Prediction Result:
Active71.17%

5HT1F_HUMAN

Docking Scores:
-9.28 -9.77 -9.43
Similarity Score:
23.33%
Best Match:
CHEMBL39
Prediction Result:
Inactive76.28%

5HT2A_HUMAN

Docking Scores:
-10.25 -10.56
Similarity Score:
45.95%
Best Match:
CHEMBL3260334
Prediction Result:
N/A

5HT2B_HUMAN

Docking Scores:
-8.86 -9.76 -10.36
Similarity Score:
45.95%
Best Match:
CHEMBL3260334
Prediction Result:
N/A

5HT2C_HUMAN

Docking Scores:
-9.66 -9.79
Similarity Score:
45.95%
Best Match:
CHEMBL3260334
Prediction Result:
N/A

5HT4R_HUMAN

Docking Scores:
-10.55 -10.74 -10.42
Similarity Score:
33.33%
Best Match:
CHEMBL550302
Prediction Result:
Inactive82.70%

5HT5A_HUMAN

Docking Scores:
-9.66 -8.88 -9.85
Similarity Score:
29.19%
Best Match:
CHEMBL401745
Prediction Result:
Inactive55.56%

5HT6R_HUMAN

Docking Scores:
-8.95 -8.69 -9.16
Similarity Score:
45.95%
Best Match:
CHEMBL3260334
Prediction Result:
Active84.34%

5HT7R_HUMAN

Docking Scores:
-9.11 -9.43 -9.93
Similarity Score:
37.50%
Best Match:
CHEMBL1094908
Prediction Result:
Active61.45%

AA1R_HUMAN

Docking Scores:
-10.56 -10.06 -9.73
Similarity Score:
33.33%
Best Match:
CHEMBL3926610
Prediction Result:
N/A

AA2AR_HUMAN

Docking Scores:
-9.65 -9.75 -10.35
Similarity Score:
33.09%
Best Match:
CHEMBL406714
Prediction Result:
N/A

AA2BR_HUMAN

Docking Scores:
-9.77 -10.18 -8.78
Similarity Score:
28.71%
Best Match:
CHEMBL382234
Prediction Result:
Inactive71.40%

AA3R_HUMAN

Docking Scores:
-7.91 -9.37 -10.29
Similarity Score:
30.87%
Best Match:
CHEMBL3601563
Prediction Result:
Inactive57.88%

ACM1_HUMAN

Docking Scores:
-8.79 -4.75
Similarity Score:
35.19%
Best Match:
CHEMBL114379
Prediction Result:
N/A

ACM2_HUMAN

Docking Scores:
-10.27 -9.38 -10.12
Similarity Score:
40.40%
Best Match:
CHEMBL55
Prediction Result:
Inactive54.39%

ACM3_HUMAN

Docking Scores:
-8.96 -10.63 -10.53
Similarity Score:
34.78%
Best Match:
CHEMBL41
Prediction Result:
Active54.14%

ACM4_HUMAN

Docking Scores:
-9.27 -9.83
Similarity Score:
40.40%
Best Match:
CHEMBL55
Prediction Result:
N/A

ACM5_HUMAN

Docking Scores:
-10.02 -10.57 -10.72
Similarity Score:
34.78%
Best Match:
CHEMBL41
Prediction Result:
Active81.19%

ACTHR_HUMAN

Docking Scores:
-11.32 -11.15 -9.38
Similarity Score:
N/A
Best Match:
N/A
Prediction Result:
N/A

ADA1D_HUMAN

Docking Scores:
-8.86 -9.82 -8.61
Similarity Score:
51.49%
Best Match:
CHEMBL200446
Prediction Result:
Active51.36%

ADA2A_HUMAN

Docking Scores:
-6.60 -7.37 -2.36
Similarity Score:
40.40%
Best Match:
CHEMBL55
Prediction Result:
Inactive99.99%

ADA2B_HUMAN

Docking Scores:
-10.89 -10.66 -10.93
Similarity Score:
34.78%
Best Match:
CHEMBL2432051
Prediction Result:
Inactive54.41%

ADA2C_HUMAN

Docking Scores:
-0.89 -0.49 -1.73
Similarity Score:
44.72%
Best Match:
CHEMBL3735289
Prediction Result:
Inactive99.99%

ADRB1_HUMAN

Docking Scores:
-9.36 -9.77 -9.84
Similarity Score:
36.07%
Best Match:
CHEMBL38569
Prediction Result:
Active58.14%

ADRB2_HUMAN

Docking Scores:
-9.85 -10.37 -10.50
Similarity Score:
37.93%
Best Match:
CHEMBL41113
Prediction Result:
N/A

ADRB3_HUMAN

Docking Scores:
-9.78 -11.21 -9.86
Similarity Score:
37.93%
Best Match:
CHEMBL41113
Prediction Result:
N/A

AGTR2_HUMAN

Docking Scores:
-10.08 -10.00 -9.81
Similarity Score:
38.24%
Best Match:
CHEMBL156165
Prediction Result:
N/A

BKRB2_HUMAN

Docking Scores:
-10.05 -10.71 -10.39
Similarity Score:
34.19%
Best Match:
CHEMBL562747
Prediction Result:
Inactive62.14%

CALCR_HUMAN

Docking Scores:
-8.82 -9.04 -9.46
Similarity Score:
16.46%
Best Match:
CHEMBL2369886
Prediction Result:
Inactive98.16%

CCKAR_HUMAN

Docking Scores:
-9.09 -8.64 -9.79
Similarity Score:
27.94%
Best Match:
CHEMBL479063
Prediction Result:
Inactive83.01%

CCR1_HUMAN

Docking Scores:
-8.37 -9.48 -8.74
Similarity Score:
37.98%
Best Match:
CHEMBL143690
Prediction Result:
Inactive61.73%

CCR2_HUMAN

Docking Scores:
-9.28 -8.88 -8.57
Similarity Score:
33.57%
Best Match:
CHEMBL340450
Prediction Result:
Inactive63.00%

CCR4_HUMAN

Docking Scores:
-7.79 -9.30 -9.62
Similarity Score:
37.17%
Best Match:
CHEMBL1618631
Prediction Result:
Active51.25%

CCR5_HUMAN

Docking Scores:
-9.17 -9.10 -8.31
Similarity Score:
47.37%
Best Match:
CHEMBL240639
Prediction Result:
Inactive75.04%

CLTR1_HUMAN

Docking Scores:
-9.41 -8.35 -10.27
Similarity Score:
36.08%
Best Match:
CHEMBL3927834
Prediction Result:
Inactive66.81%

CNR1_HUMAN

Docking Scores:
-10.18 -10.98 -10.94
Similarity Score:
43.15%
Best Match:
CHEMBL405888
Prediction Result:
N/A

CNR2_HUMAN

Docking Scores:
-10.87 -10.91
Similarity Score:
37.06%
Best Match:
CHEMBL3116281
Prediction Result:
N/A

CXCR1_HUMAN

Docking Scores:
-5.79
Similarity Score:
30.77%
Best Match:
CHEMBL376621
Prediction Result:
N/A

CXCR2_HUMAN

Docking Scores:
-9.94 -8.65 -8.82
Similarity Score:
30.77%
Best Match:
CHEMBL376621
Prediction Result:
Inactive76.71%

CXCR3_HUMAN

Docking Scores:
-9.92 -9.99 -9.63
Similarity Score:
41.43%
Best Match:
CHEMBL3952475
Prediction Result:
Inactive57.40%

CXCR4_HUMAN

Docking Scores:
-9.44 -9.00 -8.21
Similarity Score:
29.60%
Best Match:
CHEMBL126657
Prediction Result:
N/A

DRD1_HUMAN

Docking Scores:
-9.98 -9.31 -9.66
Similarity Score:
36.84%
Best Match:
CHEMBL3797876
Prediction Result:
Inactive51.32%

DRD2_HUMAN

Docking Scores:
-9.54
Similarity Score:
37.19%
Best Match:
CHEMBL255163
Prediction Result:
N/A

DRD3_HUMAN

Docking Scores:
-8.50
Similarity Score:
36.84%
Best Match:
CHEMBL3799593
Prediction Result:
N/A

DRD4_HUMAN

Docking Scores:
-10.05 -10.26
Similarity Score:
42.62%
Best Match:
CHEMBL404888
Prediction Result:
N/A

DRD5_HUMAN

Docking Scores:
-10.18 -9.71 -9.78
Similarity Score:
34.68%
Best Match:
CHEMBL1940404
Prediction Result:
Active77.29%

EDNRA_HUMAN

Docking Scores:
-8.91 -7.76 -8.07
Similarity Score:
35.82%
Best Match:
CHEMBL48652
Prediction Result:
Inactive57.05%

GABR1_HUMAN

Docking Scores:
-2.09 -4.92 6.56
Similarity Score:
24.00%
Best Match:
CHEMBL2391908
Prediction Result:
Inactive99.99%

GASR_HUMAN

Docking Scores:
-8.89 -8.95 -7.34
Similarity Score:
24.64%
Best Match:
CHEMBL9188
Prediction Result:
Inactive74.84%

GRM1_HUMAN

Docking Scores:
-9.42 -10.83 -8.52
Similarity Score:
25.58%
Best Match:
CHEMBL3942033
Prediction Result:
Inactive57.57%

GRM2_HUMAN

Docking Scores:
-3.50 -4.88 -1.47
Similarity Score:
36.08%
Best Match:
CHEMBL3927834
Prediction Result:
Inactive99.99%

GRM3_HUMAN

Docking Scores:
-5.60 -6.74 -8.60
Similarity Score:
25.17%
Best Match:
CHEMBL4081453
Prediction Result:
Inactive93.09%

GRM4_HUMAN

Docking Scores:
-1.03 -0.56 -0.30
Similarity Score:
35.92%
Best Match:
CHEMBL2023460
Prediction Result:
Inactive99.99%

GRM5_HUMAN

Docking Scores:
-9.60 -9.74 -9.88
Similarity Score:
43.31%
Best Match:
CHEMBL377706
Prediction Result:
N/A

GRM6_HUMAN

Docking Scores:
-6.99 -8.55 -5.87
Similarity Score:
15.50%
Best Match:
CHEMBL1585091
Prediction Result:
Inactive95.01%

GRM7_HUMAN

Docking Scores:
-3.28 -4.17 -5.90
Similarity Score:
25.00%
Best Match:
CHEMBL3560922
Prediction Result:
Inactive99.99%

GRM8_HUMAN

Docking Scores:
-3.41 -3.79 -0.26
Similarity Score:
25.00%
Best Match:
CHEMBL3560922
Prediction Result:
Inactive99.99%

HRH1_HUMAN

Docking Scores:
-10.23
Similarity Score:
35.92%
Best Match:
CHEMBL408868
Prediction Result:
N/A

HRH2_HUMAN

Docking Scores:
-10.64 -8.79 -9.41
Similarity Score:
44.72%
Best Match:
CHEMBL3735289
Prediction Result:
Active98.16%

HRH3_HUMAN

Docking Scores:
-9.05 -8.72 -9.07
Similarity Score:
47.37%
Best Match:
CHEMBL231146
Prediction Result:
Active72.92%

HRH4_HUMAN

Docking Scores:
-9.97 -9.73 -9.68
Similarity Score:
33.82%
Best Match:
CHEMBL1914533
Prediction Result:
Inactive74.88%

MC3R_HUMAN

Docking Scores:
-9.94 -9.00 -9.04
Similarity Score:
26.74%
Best Match:
CHEMBL257759
Prediction Result:
Inactive67.01%

MC4R_HUMAN

Docking Scores:
-8.06 -8.06 -8.50
Similarity Score:
58.88%
Best Match:
CHEMBL1501300
Prediction Result:
Active84.78%

MC5R_HUMAN

Docking Scores:
-8.10 -10.76 -7.72
Similarity Score:
26.90%
Best Match:
CHEMBL3932950
Prediction Result:
Inactive84.34%

MSHR_HUMAN

Docking Scores:
-10.46 -9.59 -11.22
Similarity Score:
24.48%
Best Match:
CHEMBL1682208
Prediction Result:
Inactive63.86%

NK1R_HUMAN

Docking Scores:
-8.94 -9.60 -9.10
Similarity Score:
38.18%
Best Match:
CHEMBL93909
Prediction Result:
N/A

NK2R_HUMAN

Docking Scores:
-8.76 -9.58 -9.85
Similarity Score:
58.51%
Best Match:
CHEMBL4111499
Prediction Result:
Active71.89%

NPBW1_HUMAN

Docking Scores:
-8.96 -7.96 -8.47
Similarity Score:
27.87%
Best Match:
CHEMBL1970107
Prediction Result:
Inactive85.09%

NPFF1_HUMAN

Docking Scores:
-9.65 -9.07 -8.77
Similarity Score:
27.59%
Best Match:
CHEMBL575058
Prediction Result:
Inactive80.22%

NPSR1_HUMAN

Docking Scores:
-9.67 -10.45 -10.20
Similarity Score:
29.38%
Best Match:
CHEMBL1801358
Prediction Result:
Active60.04%

NPY1R_HUMAN

Docking Scores:
-10.82 -9.20 -8.49
Similarity Score:
30.20%
Best Match:
CHEMBL2397291
Prediction Result:
N/A

NPY2R_HUMAN

Docking Scores:
-7.86 -8.35 -7.98
Similarity Score:
28.08%
Best Match:
CHEMBL564159
Prediction Result:
Inactive95.15%

NPY4R_HUMAN

Docking Scores:
-9.07 -8.97 -9.51
Similarity Score:
27.10%
Best Match:
CHEMBL3559801
Prediction Result:
Inactive98.81%

NPY5R_HUMAN

Docking Scores:
-9.14 -9.16 -9.08
Similarity Score:
31.51%
Best Match:
CHEMBL445613
Prediction Result:
Active59.62%

OPRD_HUMAN

Docking Scores:
-8.47 -7.21 -7.76
Similarity Score:
35.19%
Best Match:
CHEMBL114379
Prediction Result:
N/A

OPRK_HUMAN

Docking Scores:
-9.61 -9.03 -10.19
Similarity Score:
36.92%
Best Match:
CHEMBL384895
Prediction Result:
N/A

OPRM_HUMAN

Docking Scores:
-9.90 -8.86 -9.54
Similarity Score:
36.92%
Best Match:
CHEMBL384895
Prediction Result:
Inactive62.69%

OPRX_HUMAN

Docking Scores:
-8.49 -8.46 -8.48
Similarity Score:
35.19%
Best Match:
CHEMBL114379
Prediction Result:
N/A

PTAFR_HUMAN

Docking Scores:
-8.20 -7.68 -9.37
Similarity Score:
34.45%
Best Match:
CHEMBL297624
Prediction Result:
Active55.16%

TAAR1_HUMAN

Docking Scores:
-10.27 -9.98 -9.97
Similarity Score:
45.74%
Best Match:
CHEMBL294703
Prediction Result:
Inactive53.76%

TSHR_HUMAN

Docking Scores:
-10.35 -10.61 -10.63
Similarity Score:
30.30%
Best Match:
CHEMBL1705547
Prediction Result:
Inactive68.59%

V1AR_HUMAN

Docking Scores:
-8.70 -8.95 -10.11
Similarity Score:
31.65%
Best Match:
CHEMBL1083443
Prediction Result:
Inactive89.79%

VIPR1_HUMAN

Docking Scores:
-9.65 -9.50 -9.06
Similarity Score:
22.10%
Best Match:
CHEMBL1784685
Prediction Result:
N/A