li's #488 Output Download CSV

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

Docking Scores:
-6.88 -6.34 -7.09
Similarity Score:
36.00%
Best Match:
CHEMBL2164331
Prediction Result:
Inactive65.46%

5HT1B_HUMAN

Docking Scores:
-7.52 -7.49 -7.43
Similarity Score:
28.00%
Best Match:
CHEMBL2112766
Prediction Result:
N/A

5HT1D_HUMAN

Docking Scores:
-7.15 -7.35 -8.34
Similarity Score:
30.00%
Best Match:
CHEMBL139438
Prediction Result:
N/A

5HT1E_HUMAN

Docking Scores:
-6.50 -6.96 -6.41
Similarity Score:
17.48%
Best Match:
CHEMBL4210782
Prediction Result:
Inactive61.48%

5HT1F_HUMAN

Docking Scores:
-7.53 -7.61 -7.75
Similarity Score:
17.39%
Best Match:
CHEMBL39
Prediction Result:
Inactive70.42%

5HT2A_HUMAN

Docking Scores:
-7.88 -7.59
Similarity Score:
35.29%
Best Match:
CHEMBL471839
Prediction Result:
N/A

5HT2B_HUMAN

Docking Scores:
-7.36 -7.23 -7.46
Similarity Score:
35.29%
Best Match:
CHEMBL471839
Prediction Result:
N/A

5HT2C_HUMAN

Docking Scores:
-7.53 -7.81
Similarity Score:
35.29%
Best Match:
CHEMBL471839
Prediction Result:
N/A

5HT4R_HUMAN

Docking Scores:
-8.17 -8.22 -7.55
Similarity Score:
17.39%
Best Match:
CHEMBL39
Prediction Result:
Inactive89.88%

5HT5A_HUMAN

Docking Scores:
-7.62 -6.89 -7.64
Similarity Score:
33.96%
Best Match:
CHEMBL494675
Prediction Result:
Inactive57.62%

5HT6R_HUMAN

Docking Scores:
-7.03 -6.64 -7.11
Similarity Score:
34.62%
Best Match:
CHEMBL556759
Prediction Result:
Inactive55.75%

5HT7R_HUMAN

Docking Scores:
-6.58 -7.29 -7.04
Similarity Score:
45.00%
Best Match:
CHEMBL234885
Prediction Result:
Active55.66%

AA1R_HUMAN

Docking Scores:
-7.37 -7.86 -7.73
Similarity Score:
28.12%
Best Match:
CHEMBL283196
Prediction Result:
N/A

AA2AR_HUMAN

Docking Scores:
-7.90 -7.65 -7.64
Similarity Score:
27.69%
Best Match:
CHEMBL261185
Prediction Result:
N/A

AA2BR_HUMAN

Docking Scores:
-6.65 -6.94 -6.09
Similarity Score:
20.93%
Best Match:
CHEMBL376778
Prediction Result:
Inactive57.75%

AA3R_HUMAN

Docking Scores:
-8.41 -7.52 -7.15
Similarity Score:
29.03%
Best Match:
CHEMBL2312728
Prediction Result:
Active64.64%

ACM1_HUMAN

Docking Scores:
-7.80 -8.75
Similarity Score:
26.00%
Best Match:
CHEMBL657
Prediction Result:
N/A

ACM2_HUMAN

Docking Scores:
-7.28 -6.44 -7.70
Similarity Score:
26.00%
Best Match:
CHEMBL657
Prediction Result:
Inactive63.64%

ACM3_HUMAN

Docking Scores:
-6.21 -7.20 -7.98
Similarity Score:
30.51%
Best Match:
CHEMBL494410
Prediction Result:
Inactive60.91%

ACM4_HUMAN

Docking Scores:
-7.98 -7.71
Similarity Score:
26.00%
Best Match:
CHEMBL657
Prediction Result:
N/A

ACM5_HUMAN

Docking Scores:
-7.36 -7.30 -7.45
Similarity Score:
26.00%
Best Match:
CHEMBL657
Prediction Result:
Active57.50%

ACTHR_HUMAN

Docking Scores:
-9.16 -8.89 -7.29
Similarity Score:
N/A
Best Match:
N/A
Prediction Result:
N/A

ADA1D_HUMAN

Docking Scores:
-6.65 -6.63 -6.59
Similarity Score:
25.00%
Best Match:
CHEMBL648
Prediction Result:
Active51.19%

ADA2A_HUMAN

Docking Scores:
-7.77 -7.36 -5.54
Similarity Score:
29.27%
Best Match:
CHEMBL61006
Prediction Result:
Active69.10%

ADA2B_HUMAN

Docking Scores:
-8.30 -8.10 -7.79
Similarity Score:
26.09%
Best Match:
CHEMBL972
Prediction Result:
Active54.50%

ADA2C_HUMAN

Docking Scores:
-4.90 -4.83 -4.91
Similarity Score:
24.00%
Best Match:
CHEMBL1437
Prediction Result:
Inactive54.49%

ADRB1_HUMAN

Docking Scores:
-6.98 -7.45 -7.43
Similarity Score:
30.51%
Best Match:
CHEMBL1621144
Prediction Result:
Active61.67%

ADRB2_HUMAN

Docking Scores:
-6.98 -8.16 -7.85
Similarity Score:
33.96%
Best Match:
CHEMBL4062049
Prediction Result:
N/A

ADRB3_HUMAN

Docking Scores:
-7.68 -8.23 -7.62
Similarity Score:
29.03%
Best Match:
CHEMBL507003
Prediction Result:
N/A

AGTR2_HUMAN

Docking Scores:
-7.50 -7.70 -7.55
Similarity Score:
16.36%
Best Match:
CHEMBL290286
Prediction Result:
N/A

BKRB2_HUMAN

Docking Scores:
-7.13 -7.93 -7.54
Similarity Score:
18.75%
Best Match:
CHEMBL121565
Prediction Result:
Inactive92.96%

CALCR_HUMAN

Docking Scores:
-6.80 -6.58 -6.82
Similarity Score:
8.16%
Best Match:
CHEMBL2369895
Prediction Result:
Inactive97.34%

CCKAR_HUMAN

Docking Scores:
-7.07 -6.95 -7.95
Similarity Score:
16.67%
Best Match:
CHEMBL1210154
Prediction Result:
Inactive98.80%

CCR1_HUMAN

Docking Scores:
-7.70 -8.08 -6.61
Similarity Score:
21.43%
Best Match:
CHEMBL2205805
Prediction Result:
Inactive98.29%

CCR2_HUMAN

Docking Scores:
-7.13 -6.85 -6.50
Similarity Score:
24.00%
Best Match:
CHEMBL18442
Prediction Result:
Inactive97.24%

CCR4_HUMAN

Docking Scores:
-5.94 -6.33 -6.91
Similarity Score:
15.79%
Best Match:
CHEMBL1618631
Prediction Result:
Inactive89.25%

CCR5_HUMAN

Docking Scores:
-6.78 -6.81 -7.00
Similarity Score:
22.22%
Best Match:
CHEMBL106264
Prediction Result:
Inactive99.74%

CLTR1_HUMAN

Docking Scores:
-6.84 -7.46 -8.01
Similarity Score:
13.85%
Best Match:
CHEMBL33329
Prediction Result:
Inactive96.95%

CNR1_HUMAN

Docking Scores:
-7.22 -7.43 -8.22
Similarity Score:
37.50%
Best Match:
CHEMBL3915185
Prediction Result:
N/A

CNR2_HUMAN

Docking Scores:
-8.21 -8.33
Similarity Score:
38.30%
Best Match:
CHEMBL32362
Prediction Result:
N/A

CXCR1_HUMAN

Docking Scores:
-7.23
Similarity Score:
18.75%
Best Match:
CHEMBL191413
Prediction Result:
N/A

CXCR2_HUMAN

Docking Scores:
-7.29 -5.66 -5.83
Similarity Score:
18.75%
Best Match:
CHEMBL191413
Prediction Result:
Inactive67.31%

CXCR3_HUMAN

Docking Scores:
-7.81 -7.55 -7.64
Similarity Score:
29.03%
Best Match:
CHEMBL2181446
Prediction Result:
Inactive98.13%

CXCR4_HUMAN

Docking Scores:
-7.98 -5.85 -6.84
Similarity Score:
24.00%
Best Match:
CHEMBL18442
Prediction Result:
N/A

DRD1_HUMAN

Docking Scores:
-7.60 -7.07 -7.38
Similarity Score:
30.77%
Best Match:
CHEMBL441343
Prediction Result:
Inactive75.08%

DRD2_HUMAN

Docking Scores:
-8.09
Similarity Score:
28.57%
Best Match:
CHEMBL59
Prediction Result:
N/A

DRD3_HUMAN

Docking Scores:
-7.13
Similarity Score:
30.51%
Best Match:
CHEMBL484204
Prediction Result:
N/A

DRD4_HUMAN

Docking Scores:
-7.15 -7.25
Similarity Score:
28.57%
Best Match:
CHEMBL59
Prediction Result:
N/A

DRD5_HUMAN

Docking Scores:
-7.15 -7.96 -7.64
Similarity Score:
28.57%
Best Match:
CHEMBL59
Prediction Result:
Inactive82.39%

EDNRA_HUMAN

Docking Scores:
-5.39 -5.87 -6.11
Similarity Score:
20.45%
Best Match:
CHEMBL414408
Prediction Result:
Inactive90.96%

GABR1_HUMAN

Docking Scores:
-7.04 -6.97 -7.46
Similarity Score:
11.21%
Best Match:
CHEMBL2391908
Prediction Result:
Inactive92.73%

GASR_HUMAN

Docking Scores:
-6.52 -6.52 -5.54
Similarity Score:
13.95%
Best Match:
CHEMBL38874
Prediction Result:
Inactive95.35%

GRM1_HUMAN

Docking Scores:
-7.77 -7.73 -7.61
Similarity Score:
20.45%
Best Match:
CHEMBL1269125
Prediction Result:
Inactive77.61%

GRM2_HUMAN

Docking Scores:
-7.60 -8.66 -8.05
Similarity Score:
26.09%
Best Match:
CHEMBL4634600
Prediction Result:
Inactive51.79%

GRM3_HUMAN

Docking Scores:
-9.26 -9.53 -9.25
Similarity Score:
19.67%
Best Match:
CHEMBL2112584
Prediction Result:
Inactive66.25%

GRM4_HUMAN

Docking Scores:
-5.95 -5.77 -5.93
Similarity Score:
17.78%
Best Match:
CHEMBL2022867
Prediction Result:
Inactive90.65%

GRM5_HUMAN

Docking Scores:
-7.72 -9.44 -9.45
Similarity Score:
26.09%
Best Match:
CHEMBL371811
Prediction Result:
N/A

GRM6_HUMAN

Docking Scores:
-7.89 -8.15 -7.71
Similarity Score:
16.22%
Best Match:
CHEMBL566136
Prediction Result:
Inactive98.11%

GRM7_HUMAN

Docking Scores:
-6.76 -6.52 -7.42
Similarity Score:
25.53%
Best Match:
CHEMBL1387826
Prediction Result:
Inactive99.99%

GRM8_HUMAN

Docking Scores:
-6.42 -7.29 -7.01
Similarity Score:
17.14%
Best Match:
CHEMBL277475
Prediction Result:
Inactive98.71%

HRH1_HUMAN

Docking Scores:
-7.87
Similarity Score:
28.57%
Best Match:
CHEMBL47482
Prediction Result:
N/A

HRH2_HUMAN

Docking Scores:
-9.00 -7.92 -8.99
Similarity Score:
20.69%
Best Match:
CHEMBL2207641
Prediction Result:
Active78.51%

HRH3_HUMAN

Docking Scores:
-7.40 -6.57 -6.67
Similarity Score:
56.25%
Best Match:
CHEMBL209478
Prediction Result:
Active87.58%

HRH4_HUMAN

Docking Scores:
-6.81 -6.72 -6.64
Similarity Score:
25.35%
Best Match:
CHEMBL4100315
Prediction Result:
Active56.00%

MC3R_HUMAN

Docking Scores:
-8.03 -7.39 -7.23
Similarity Score:
14.63%
Best Match:
CHEMBL460142
Prediction Result:
Inactive84.89%

MC4R_HUMAN

Docking Scores:
-5.80 -5.87 -6.39
Similarity Score:
27.27%
Best Match:
CHEMBL195009
Prediction Result:
Inactive83.83%

MC5R_HUMAN

Docking Scores:
-6.05 -7.55 -6.51
Similarity Score:
19.35%
Best Match:
CHEMBL3964883
Prediction Result:
Inactive50.36%

MSHR_HUMAN

Docking Scores:
-7.28 -6.71 -6.93
Similarity Score:
16.22%
Best Match:
CHEMBL267020
Prediction Result:
Inactive75.24%

NK1R_HUMAN

Docking Scores:
-6.88 -7.60 -6.63
Similarity Score:
32.73%
Best Match:
CHEMBL206490
Prediction Result:
N/A

NK2R_HUMAN

Docking Scores:
-7.35 -7.17 -7.10
Similarity Score:
19.35%
Best Match:
CHEMBL17157
Prediction Result:
Inactive99.16%

NPBW1_HUMAN

Docking Scores:
-6.47 -6.03 -6.48
Similarity Score:
14.06%
Best Match:
CHEMBL1991452
Prediction Result:
Inactive95.59%

NPFF1_HUMAN

Docking Scores:
-6.63 -6.25 -6.42
Similarity Score:
21.05%
Best Match:
CHEMBL573297
Prediction Result:
Inactive85.84%

NPSR1_HUMAN

Docking Scores:
-6.65 -7.87 -6.47
Similarity Score:
18.56%
Best Match:
CHEMBL1289780
Prediction Result:
Inactive79.71%

NPY1R_HUMAN

Docking Scores:
-7.61 -7.57 -6.97
Similarity Score:
21.05%
Best Match:
CHEMBL3559801
Prediction Result:
N/A

NPY2R_HUMAN

Docking Scores:
-6.80 -6.37 -6.37
Similarity Score:
21.05%
Best Match:
CHEMBL3559801
Prediction Result:
Inactive85.78%

NPY4R_HUMAN

Docking Scores:
-6.73 -6.63 -6.26
Similarity Score:
21.05%
Best Match:
CHEMBL3559801
Prediction Result:
Active91.43%

NPY5R_HUMAN

Docking Scores:
-6.56 -6.64 -6.47
Similarity Score:
26.67%
Best Match:
CHEMBL327027
Prediction Result:
Inactive91.53%

OPRD_HUMAN

Docking Scores:
-7.25 -6.14 -6.31
Similarity Score:
23.53%
Best Match:
CHEMBL127346
Prediction Result:
N/A

OPRK_HUMAN

Docking Scores:
-7.60 -7.49 -7.36
Similarity Score:
26.67%
Best Match:
CHEMBL4073160
Prediction Result:
N/A

OPRM_HUMAN

Docking Scores:
-7.31 -6.23 -6.56
Similarity Score:
26.67%
Best Match:
CHEMBL1188090
Prediction Result:
Inactive91.27%

OPRX_HUMAN

Docking Scores:
-6.42 -6.36 -6.32
Similarity Score:
22.22%
Best Match:
CHEMBL53256
Prediction Result:
N/A

PTAFR_HUMAN

Docking Scores:
-7.88 -8.18 -8.30
Similarity Score:
19.78%
Best Match:
CHEMBL416120
Prediction Result:
Inactive76.35%

TAAR1_HUMAN

Docking Scores:
-7.59 -7.20 -7.27
Similarity Score:
41.38%
Best Match:
CHEMBL610
Prediction Result:
Active83.20%

TSHR_HUMAN

Docking Scores:
-7.63 -7.54 -7.65
Similarity Score:
11.93%
Best Match:
CHEMBL3982371
Prediction Result:
Inactive96.91%

V1AR_HUMAN

Docking Scores:
-7.06 -6.31 -7.99
Similarity Score:
26.09%
Best Match:
CHEMBL1083095
Prediction Result:
Inactive93.20%

VIPR1_HUMAN

Docking Scores:
-6.52 -6.36 -6.76
Similarity Score:
13.24%
Best Match:
CHEMBL1784685
Prediction Result:
N/A