YJING #62 Output Download CSV

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

Docking Scores:
-9.96 -9.37 -9.75
Similarity Score:
57.84%
Best Match:
CHEMBL573531
Prediction Result:
Active91.53%

5HT1B_HUMAN

Docking Scores:
-10.06 -10.13 -10.77
Similarity Score:
51.24%
Best Match:
CHEMBL515472
Prediction Result:
N/A

5HT1D_HUMAN

Docking Scores:
-10.13 -10.13 -9.80
Similarity Score:
52.80%
Best Match:
CHEMBL100086
Prediction Result:
N/A

5HT1E_HUMAN

Docking Scores:
-9.99 -10.07 -10.15
Similarity Score:
28.24%
Best Match:
CHEMBL2391541
Prediction Result:
Active69.47%

5HT1F_HUMAN

Docking Scores:
-10.00 -9.95 -10.39
Similarity Score:
36.99%
Best Match:
CHEMBL184994
Prediction Result:
Active59.51%

5HT2A_HUMAN

Docking Scores:
-11.14 -10.53
Similarity Score:
52.89%
Best Match:
CHEMBL1093698
Prediction Result:
N/A

5HT2B_HUMAN

Docking Scores:
-10.02 -9.85 -10.01
Similarity Score:
51.24%
Best Match:
CHEMBL515472
Prediction Result:
N/A

5HT2C_HUMAN

Docking Scores:
-9.55 -10.62
Similarity Score:
59.81%
Best Match:
CHEMBL1091104
Prediction Result:
N/A

5HT4R_HUMAN

Docking Scores:
-11.03 -10.82 -10.42
Similarity Score:
50.41%
Best Match:
CHEMBL182590
Prediction Result:
Inactive57.04%

5HT5A_HUMAN

Docking Scores:
-10.03 -9.60 -9.94
Similarity Score:
45.53%
Best Match:
CHEMBL363678
Prediction Result:
Active65.60%

5HT6R_HUMAN

Docking Scores:
-10.15 -10.39 -10.10
Similarity Score:
56.48%
Best Match:
CHEMBL455332
Prediction Result:
Active86.61%

5HT7R_HUMAN

Docking Scores:
-9.31 -10.09 -10.35
Similarity Score:
51.24%
Best Match:
CHEMBL515472
Prediction Result:
Active83.09%

AA1R_HUMAN

Docking Scores:
-10.38 -9.53 -9.63
Similarity Score:
36.05%
Best Match:
CHEMBL3763972
Prediction Result:
N/A

AA2AR_HUMAN

Docking Scores:
-10.03 -10.19 -10.75
Similarity Score:
36.05%
Best Match:
CHEMBL3763972
Prediction Result:
N/A

AA2BR_HUMAN

Docking Scores:
-9.43 -10.00 -9.60
Similarity Score:
32.11%
Best Match:
CHEMBL199826
Prediction Result:
Inactive63.59%

AA3R_HUMAN

Docking Scores:
-8.17 -7.22 -9.61
Similarity Score:
55.43%
Best Match:
CHEMBL27673
Prediction Result:
Active55.59%

ACM1_HUMAN

Docking Scores:
-10.09 -3.10
Similarity Score:
55.43%
Best Match:
CHEMBL27673
Prediction Result:
N/A

ACM2_HUMAN

Docking Scores:
-10.68 -9.34 -10.53
Similarity Score:
55.43%
Best Match:
CHEMBL27673
Prediction Result:
Active62.33%

ACM3_HUMAN

Docking Scores:
-10.57 -11.48 -11.56
Similarity Score:
55.43%
Best Match:
CHEMBL27673
Prediction Result:
Active91.94%

ACM4_HUMAN

Docking Scores:
-10.99 -9.67
Similarity Score:
56.86%
Best Match:
CHEMBL2205825
Prediction Result:
N/A

ACM5_HUMAN

Docking Scores:
-10.49 -11.34 -11.31
Similarity Score:
55.43%
Best Match:
CHEMBL27673
Prediction Result:
Active93.72%

ACTHR_HUMAN

Docking Scores:
-10.77 -10.69 -9.37
Similarity Score:
N/A
Best Match:
N/A
Prediction Result:
N/A

ADA1D_HUMAN

Docking Scores:
-9.82 -10.15 -9.79
Similarity Score:
50.00%
Best Match:
CHEMBL1254829
Prediction Result:
Active69.00%

ADA2A_HUMAN

Docking Scores:
-3.57 -2.79 -1.52
Similarity Score:
52.07%
Best Match:
CHEMBL50588
Prediction Result:
Inactive99.99%

ADA2B_HUMAN

Docking Scores:
-10.69 -10.42 -10.96
Similarity Score:
68.48%
Best Match:
CHEMBL2432051
Prediction Result:
Active86.93%

ADA2C_HUMAN

Docking Scores:
-2.15 2.00 3.63
Similarity Score:
71.59%
Best Match:
CHEMBL2432056
Prediction Result:
Inactive99.99%

ADRB1_HUMAN

Docking Scores:
-10.33 -9.72 -10.11
Similarity Score:
42.98%
Best Match:
CHEMBL299175
Prediction Result:
Active55.93%

ADRB2_HUMAN

Docking Scores:
-9.83 -10.02 -10.77
Similarity Score:
56.07%
Best Match:
CHEMBL1378531
Prediction Result:
N/A

ADRB3_HUMAN

Docking Scores:
-10.99 -11.18 -10.70
Similarity Score:
43.80%
Best Match:
CHEMBL105475
Prediction Result:
N/A

AGTR2_HUMAN

Docking Scores:
-10.81 -10.88 -10.65
Similarity Score:
47.83%
Best Match:
CHEMBL154057
Prediction Result:
N/A

BKRB2_HUMAN

Docking Scores:
-10.78 -11.83 -10.62
Similarity Score:
35.23%
Best Match:
CHEMBL559565
Prediction Result:
Inactive59.57%

CALCR_HUMAN

Docking Scores:
-9.48 -8.93 -8.83
Similarity Score:
22.83%
Best Match:
CHEMBL2369895
Prediction Result:
Inactive98.37%

CCKAR_HUMAN

Docking Scores:
-9.35 -9.45 -10.18
Similarity Score:
29.37%
Best Match:
CHEMBL206025
Prediction Result:
Inactive59.57%

CCR1_HUMAN

Docking Scores:
-8.93 -8.99 -8.39
Similarity Score:
41.73%
Best Match:
CHEMBL2398763
Prediction Result:
Inactive57.51%

CCR2_HUMAN

Docking Scores:
-10.03 -8.89 -8.80
Similarity Score:
44.22%
Best Match:
CHEMBL3417124
Prediction Result:
Inactive51.16%

CCR4_HUMAN

Docking Scores:
-8.45 -9.08 -9.66
Similarity Score:
52.50%
Best Match:
CHEMBL1907216
Prediction Result:
Active67.50%

CCR5_HUMAN

Docking Scores:
-9.48 -9.43 -8.96
Similarity Score:
52.71%
Best Match:
CHEMBL556798
Prediction Result:
Active54.39%

CLTR1_HUMAN

Docking Scores:
-9.49 -10.36 -11.13
Similarity Score:
37.93%
Best Match:
CHEMBL128151
Prediction Result:
Active52.68%

CNR1_HUMAN

Docking Scores:
-10.01 -11.06 -11.44
Similarity Score:
61.86%
Best Match:
CHEMBL259425
Prediction Result:
N/A

CNR2_HUMAN

Docking Scores:
-11.86 -11.40
Similarity Score:
53.72%
Best Match:
CHEMBL519043
Prediction Result:
N/A

CXCR1_HUMAN

Docking Scores:
-5.02
Similarity Score:
30.37%
Best Match:
CHEMBL490688
Prediction Result:
N/A

CXCR2_HUMAN

Docking Scores:
-10.09 -9.07 -7.73
Similarity Score:
38.13%
Best Match:
CHEMBL3645131
Prediction Result:
Inactive67.48%

CXCR3_HUMAN

Docking Scores:
-10.15 -10.33 -10.33
Similarity Score:
59.02%
Best Match:
CHEMBL3697121
Prediction Result:
Active92.90%

CXCR4_HUMAN

Docking Scores:
-9.21 -8.53 -8.82
Similarity Score:
47.47%
Best Match:
CHEMBL3781301
Prediction Result:
N/A

DRD1_HUMAN

Docking Scores:
-10.14 -9.23 -8.96
Similarity Score:
51.24%
Best Match:
CHEMBL402143
Prediction Result:
Active80.61%

DRD2_HUMAN

Docking Scores:
-10.03
Similarity Score:
54.92%
Best Match:
CHEMBL161916
Prediction Result:
N/A

DRD3_HUMAN

Docking Scores:
-9.72
Similarity Score:
57.02%
Best Match:
CHEMBL2112607
Prediction Result:
N/A

DRD4_HUMAN

Docking Scores:
-10.58 -10.78
Similarity Score:
59.38%
Best Match:
CHEMBL59075
Prediction Result:
N/A

DRD5_HUMAN

Docking Scores:
-10.28 -10.84 -10.18
Similarity Score:
47.50%
Best Match:
CHEMBL517244
Prediction Result:
Active92.78%

EDNRA_HUMAN

Docking Scores:
-7.73 -8.70 -8.73
Similarity Score:
41.36%
Best Match:
CHEMBL128479
Prediction Result:
Active63.93%

GABR1_HUMAN

Docking Scores:
1.74 -1.90 13.79
Similarity Score:
28.28%
Best Match:
CHEMBL2391908
Prediction Result:
Inactive99.99%

GASR_HUMAN

Docking Scores:
-10.01 -8.99 -6.20
Similarity Score:
32.93%
Best Match:
CHEMBL329286
Prediction Result:
Inactive54.76%

GRM1_HUMAN

Docking Scores:
-10.04 -9.89 -8.49
Similarity Score:
33.08%
Best Match:
CHEMBL1269125
Prediction Result:
Inactive65.41%

GRM2_HUMAN

Docking Scores:
-0.69 -4.78 1.42
Similarity Score:
50.00%
Best Match:
CHEMBL485175
Prediction Result:
Inactive99.99%

GRM3_HUMAN

Docking Scores:
-2.99 -7.87 -6.97
Similarity Score:
48.39%
Best Match:
CHEMBL4081453
Prediction Result:
Inactive99.99%

GRM4_HUMAN

Docking Scores:
0.64 0.54 2.01
Similarity Score:
34.03%
Best Match:
CHEMBL2023460
Prediction Result:
Inactive99.99%

GRM5_HUMAN

Docking Scores:
-8.89 -9.74 -8.90
Similarity Score:
62.00%
Best Match:
CHEMBL2151818
Prediction Result:
N/A

GRM6_HUMAN

Docking Scores:
-5.31 -6.73 -4.94
Similarity Score:
21.19%
Best Match:
CHEMBL2381649
Prediction Result:
Inactive87.40%

GRM7_HUMAN

Docking Scores:
-2.71 -3.44 -4.89
Similarity Score:
29.32%
Best Match:
CHEMBL432038
Prediction Result:
Inactive99.99%

GRM8_HUMAN

Docking Scores:
0.65 -2.25 0.42
Similarity Score:
30.08%
Best Match:
CHEMBL95868
Prediction Result:
Inactive99.99%

HRH1_HUMAN

Docking Scores:
-8.87
Similarity Score:
51.24%
Best Match:
CHEMBL402143
Prediction Result:
N/A

HRH2_HUMAN

Docking Scores:
-11.69 -9.09 -9.47
Similarity Score:
44.07%
Best Match:
CHEMBL2205813
Prediction Result:
Active98.06%

HRH3_HUMAN

Docking Scores:
-9.82 -9.31 -9.12
Similarity Score:
71.59%
Best Match:
CHEMBL193978
Prediction Result:
Active92.85%

HRH4_HUMAN

Docking Scores:
-9.76 -10.18 -9.65
Similarity Score:
46.96%
Best Match:
CHEMBL1934062
Prediction Result:
Inactive64.16%

MC3R_HUMAN

Docking Scores:
-9.96 -9.33 -8.93
Similarity Score:
42.07%
Best Match:
CHEMBL398929
Prediction Result:
Active54.41%

MC4R_HUMAN

Docking Scores:
-8.09 -7.25 -7.80
Similarity Score:
65.05%
Best Match:
CHEMBL1501300
Prediction Result:
Active63.22%

MC5R_HUMAN

Docking Scores:
-7.49 -10.18 -7.89
Similarity Score:
39.10%
Best Match:
CHEMBL3932950
Prediction Result:
Inactive62.17%

MSHR_HUMAN

Docking Scores:
-9.38 -8.85 -10.55
Similarity Score:
35.90%
Best Match:
CHEMBL1682209
Prediction Result:
Inactive57.51%

NK1R_HUMAN

Docking Scores:
-9.48 -10.17 -9.54
Similarity Score:
54.39%
Best Match:
CHEMBL1817830
Prediction Result:
N/A

NK2R_HUMAN

Docking Scores:
-9.36 -9.55 -9.90
Similarity Score:
46.48%
Best Match:
CHEMBL369174
Prediction Result:
Active51.55%

NPBW1_HUMAN

Docking Scores:
-9.58 -7.92 -8.72
Similarity Score:
36.26%
Best Match:
CHEMBL1940538
Prediction Result:
Inactive74.64%

NPFF1_HUMAN

Docking Scores:
-9.50 -9.54 -9.77
Similarity Score:
37.41%
Best Match:
CHEMBL2208334
Prediction Result:
Inactive65.49%

NPSR1_HUMAN

Docking Scores:
-9.75 -10.97 -10.71
Similarity Score:
31.35%
Best Match:
CHEMBL1801360
Prediction Result:
Active80.05%

NPY1R_HUMAN

Docking Scores:
-10.72 -10.13 -8.58
Similarity Score:
50.44%
Best Match:
CHEMBL549851
Prediction Result:
N/A

NPY2R_HUMAN

Docking Scores:
-9.75 -9.24 -9.26
Similarity Score:
43.18%
Best Match:
CHEMBL2030193
Prediction Result:
Active53.11%

NPY4R_HUMAN

Docking Scores:
-8.76 -9.83 -9.30
Similarity Score:
33.33%
Best Match:
CHEMBL3559801
Prediction Result:
Inactive98.79%

NPY5R_HUMAN

Docking Scores:
-8.51 -8.56 -9.27
Similarity Score:
56.10%
Best Match:
CHEMBL445613
Prediction Result:
Active85.37%

OPRD_HUMAN

Docking Scores:
-8.45 -7.87 -7.87
Similarity Score:
49.07%
Best Match:
CHEMBL4069480
Prediction Result:
N/A

OPRK_HUMAN

Docking Scores:
-10.60 -9.49 -10.93
Similarity Score:
63.30%
Best Match:
CHEMBL384895
Prediction Result:
N/A

OPRM_HUMAN

Docking Scores:
-10.23 -8.56 -9.07
Similarity Score:
63.30%
Best Match:
CHEMBL384895
Prediction Result:
Active91.54%

OPRX_HUMAN

Docking Scores:
-8.90 -8.14 -9.10
Similarity Score:
55.56%
Best Match:
CHEMBL3928651
Prediction Result:
N/A

PTAFR_HUMAN

Docking Scores:
-9.47 -9.02 -9.08
Similarity Score:
40.43%
Best Match:
CHEMBL53585
Prediction Result:
Active56.21%

TAAR1_HUMAN

Docking Scores:
-10.13 -10.91 -9.74
Similarity Score:
51.85%
Best Match:
CHEMBL1391510
Prediction Result:
Active51.15%

TSHR_HUMAN

Docking Scores:
-11.29 -10.90 -11.84
Similarity Score:
37.65%
Best Match:
CHEMBL1315387
Prediction Result:
Active52.15%

V1AR_HUMAN

Docking Scores:
-9.29 -9.63 -9.96
Similarity Score:
51.69%
Best Match:
CHEMBL1084326
Prediction Result:
Active58.09%

VIPR1_HUMAN

Docking Scores:
-10.09 -9.43 -10.28
Similarity Score:
25.40%
Best Match:
CHEMBL520349
Prediction Result:
N/A