ACTE #54 Output Download CSV

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

Docking Scores:
-5.06 -4.80 -4.98
Similarity Score:
11.32%
Best Match:
CHEMBL146942
Prediction Result:
Inactive96.41%

5HT1B_HUMAN

Docking Scores:
-5.22 -5.45 -5.82
Similarity Score:
11.32%
Best Match:
CHEMBL146942
Prediction Result:
N/A

5HT1D_HUMAN

Docking Scores:
-5.37 -4.96 -4.83
Similarity Score:
8.70%
Best Match:
CHEMBL414420
Prediction Result:
N/A

5HT1E_HUMAN

Docking Scores:
-5.67 -4.71 -4.50
Similarity Score:
4.65%
Best Match:
CHEMBL22744
Prediction Result:
Active50.22%

5HT1F_HUMAN

Docking Scores:
-5.04 -5.17 -5.28
Similarity Score:
4.80%
Best Match:
CHEMBL101686
Prediction Result:
Inactive86.29%

5HT2A_HUMAN

Docking Scores:
-5.25 -5.17
Similarity Score:
20.69%
Best Match:
CHEMBL334255
Prediction Result:
N/A

5HT2B_HUMAN

Docking Scores:
-5.60 -5.34 -5.64
Similarity Score:
15.00%
Best Match:
CHEMBL547
Prediction Result:
N/A

5HT2C_HUMAN

Docking Scores:
-5.44 -5.37
Similarity Score:
20.69%
Best Match:
CHEMBL334255
Prediction Result:
N/A

5HT4R_HUMAN

Docking Scores:
-5.41 -5.45 -5.53
Similarity Score:
6.25%
Best Match:
CHEMBL80015
Prediction Result:
Inactive92.02%

5HT5A_HUMAN

Docking Scores:
-5.33 -5.28 -5.30
Similarity Score:
7.14%
Best Match:
CHEMBL191460
Prediction Result:
Inactive69.15%

5HT6R_HUMAN

Docking Scores:
-5.24 -5.07 -5.27
Similarity Score:
17.86%
Best Match:
CHEMBL98511
Prediction Result:
Inactive92.41%

5HT7R_HUMAN

Docking Scores:
-5.01 -4.85 -5.07
Similarity Score:
11.32%
Best Match:
CHEMBL146942
Prediction Result:
Inactive75.85%

AA1R_HUMAN

Docking Scores:
-5.58 -5.06 -5.57
Similarity Score:
16.67%
Best Match:
CHEMBL3314905
Prediction Result:
N/A

AA2AR_HUMAN

Docking Scores:
-5.42 -5.32 -5.53
Similarity Score:
16.67%
Best Match:
CHEMBL3314905
Prediction Result:
N/A

AA2BR_HUMAN

Docking Scores:
-4.68 -5.26 -4.70
Similarity Score:
5.66%
Best Match:
CHEMBL3093327
Prediction Result:
Inactive88.05%

AA3R_HUMAN

Docking Scores:
-5.76 -5.25 -5.21
Similarity Score:
16.67%
Best Match:
CHEMBL3314905
Prediction Result:
Inactive51.35%

ACM1_HUMAN

Docking Scores:
-6.10 -6.41
Similarity Score:
26.09%
Best Match:
CHEMBL75880
Prediction Result:
N/A

ACM2_HUMAN

Docking Scores:
-5.40 -5.00 -6.01
Similarity Score:
25.00%
Best Match:
CHEMBL2030626
Prediction Result:
Active63.23%

ACM3_HUMAN

Docking Scores:
-4.85 -5.45 -6.00
Similarity Score:
26.09%
Best Match:
CHEMBL75880
Prediction Result:
Inactive77.22%

ACM4_HUMAN

Docking Scores:
-6.16 -5.57
Similarity Score:
26.09%
Best Match:
CHEMBL75880
Prediction Result:
N/A

ACM5_HUMAN

Docking Scores:
-5.53 -5.41 -5.55
Similarity Score:
26.09%
Best Match:
CHEMBL75880
Prediction Result:
Inactive84.53%

ACTHR_HUMAN

Docking Scores:
-5.87 -5.33 -5.02
Similarity Score:
N/A
Best Match:
N/A
Prediction Result:
N/A

ADA1D_HUMAN

Docking Scores:
-4.48 -4.66 -4.72
Similarity Score:
11.32%
Best Match:
CHEMBL533979
Prediction Result:
Inactive74.33%

ADA2A_HUMAN

Docking Scores:
-5.87 -6.00 -6.06
Similarity Score:
20.69%
Best Match:
CHEMBL334255
Prediction Result:
Active62.53%

ADA2B_HUMAN

Docking Scores:
-6.20 -5.97 -6.12
Similarity Score:
20.69%
Best Match:
CHEMBL334255
Prediction Result:
Active50.77%

ADA2C_HUMAN

Docking Scores:
-6.04 -6.00 -6.10
Similarity Score:
26.09%
Best Match:
CHEMBL2030634
Prediction Result:
Active61.44%

ADRB1_HUMAN

Docking Scores:
-5.22 -5.45 -5.31
Similarity Score:
7.14%
Best Match:
CHEMBL236514
Prediction Result:
Inactive79.42%

ADRB2_HUMAN

Docking Scores:
-5.81 -6.01 -5.83
Similarity Score:
8.96%
Best Match:
CHEMBL1332942
Prediction Result:
N/A

ADRB3_HUMAN

Docking Scores:
-5.49 -5.88 -5.42
Similarity Score:
6.32%
Best Match:
CHEMBL101591
Prediction Result:
N/A

AGTR2_HUMAN

Docking Scores:
-5.59 -5.86 -5.53
Similarity Score:
4.17%
Best Match:
CHEMBL376286
Prediction Result:
N/A

BKRB2_HUMAN

Docking Scores:
-5.25 -5.53 -5.33
Similarity Score:
9.52%
Best Match:
CHEMBL109172
Prediction Result:
Inactive95.65%

CALCR_HUMAN

Docking Scores:
-4.80 -4.66 -5.19
Similarity Score:
3.52%
Best Match:
CHEMBL2369895
Prediction Result:
Active89.23%

CCKAR_HUMAN

Docking Scores:
-4.78 -5.36 -5.04
Similarity Score:
5.41%
Best Match:
CHEMBL258486
Prediction Result:
Inactive95.24%

CCR1_HUMAN

Docking Scores:
-5.70 -6.38 -4.46
Similarity Score:
9.68%
Best Match:
CHEMBL33761
Prediction Result:
Inactive98.55%

CCR2_HUMAN

Docking Scores:
-4.61 -4.52 -5.06
Similarity Score:
8.45%
Best Match:
CHEMBL523857
Prediction Result:
Inactive92.34%

CCR4_HUMAN

Docking Scores:
-4.59 -4.66 -4.89
Similarity Score:
6.45%
Best Match:
CHEMBL459465
Prediction Result:
Inactive86.23%

CCR5_HUMAN

Docking Scores:
-5.10 -5.65 -5.19
Similarity Score:
10.17%
Best Match:
CHEMBL321267
Prediction Result:
Inactive99.75%

CLTR1_HUMAN

Docking Scores:
-5.07 -6.34 -5.24
Similarity Score:
6.90%
Best Match:
CHEMBL22776
Prediction Result:
Inactive98.58%

CNR1_HUMAN

Docking Scores:
-5.19 -5.43 -5.77
Similarity Score:
13.64%
Best Match:
CHEMBL483143
Prediction Result:
N/A

CNR2_HUMAN

Docking Scores:
-5.87 -5.87
Similarity Score:
28.57%
Best Match:
CHEMBL3360190
Prediction Result:
N/A

CXCR1_HUMAN

Docking Scores:
-5.63
Similarity Score:
4.92%
Best Match:
CHEMBL191413
Prediction Result:
N/A

CXCR2_HUMAN

Docking Scores:
-5.30 -4.49 -4.09
Similarity Score:
5.13%
Best Match:
CHEMBL4103634
Prediction Result:
Inactive99.99%

CXCR3_HUMAN

Docking Scores:
-5.20 -5.11 -5.13
Similarity Score:
12.00%
Best Match:
CHEMBL2205723
Prediction Result:
Inactive99.32%

CXCR4_HUMAN

Docking Scores:
-5.38 -3.98 -4.66
Similarity Score:
10.00%
Best Match:
CHEMBL2170299
Prediction Result:
N/A

DRD1_HUMAN

Docking Scores:
-5.55 -4.69 -4.87
Similarity Score:
11.32%
Best Match:
CHEMBL21731
Prediction Result:
Inactive78.18%

DRD2_HUMAN

Docking Scores:
-5.63
Similarity Score:
11.54%
Best Match:
CHEMBL162762
Prediction Result:
N/A

DRD3_HUMAN

Docking Scores:
-5.30
Similarity Score:
13.04%
Best Match:
CHEMBL1123
Prediction Result:
N/A

DRD4_HUMAN

Docking Scores:
-5.45 -5.59
Similarity Score:
11.54%
Best Match:
CHEMBL162762
Prediction Result:
N/A

DRD5_HUMAN

Docking Scores:
-5.13 -5.40 -5.53
Similarity Score:
11.32%
Best Match:
CHEMBL21731
Prediction Result:
Inactive84.81%

EDNRA_HUMAN

Docking Scores:
-5.42 -5.36 -4.36
Similarity Score:
6.85%
Best Match:
CHEMBL286808
Prediction Result:
Inactive96.12%

GABR1_HUMAN

Docking Scores:
-5.45 -5.62 -6.38
Similarity Score:
5.94%
Best Match:
CHEMBL2391908
Prediction Result:
Inactive91.34%

GASR_HUMAN

Docking Scores:
-4.97 -4.82 -4.42
Similarity Score:
6.59%
Best Match:
CHEMBL537171
Prediction Result:
Inactive96.81%

GRM1_HUMAN

Docking Scores:
-6.25 -6.04 -5.79
Similarity Score:
11.32%
Best Match:
CHEMBL1270719
Prediction Result:
Inactive94.97%

GRM2_HUMAN

Docking Scores:
-6.84 -6.73 -6.91
Similarity Score:
18.75%
Best Match:
CHEMBL482081
Prediction Result:
Inactive80.54%

GRM3_HUMAN

Docking Scores:
-6.86 -6.67 -6.66
Similarity Score:
17.14%
Best Match:
CHEMBL2112586
Prediction Result:
Inactive65.37%

GRM4_HUMAN

Docking Scores:
-4.71 -4.27 -3.91
Similarity Score:
8.96%
Best Match:
CHEMBL578358
Prediction Result:
Inactive99.99%

GRM5_HUMAN

Docking Scores:
-5.83 -6.45 -6.39
Similarity Score:
17.65%
Best Match:
CHEMBL1783985
Prediction Result:
N/A

GRM6_HUMAN

Docking Scores:
-6.01 -5.99 -5.93
Similarity Score:
15.15%
Best Match:
CHEMBL280563
Prediction Result:
Inactive93.35%

GRM7_HUMAN

Docking Scores:
-5.50 -5.13 -5.56
Similarity Score:
6.90%
Best Match:
CHEMBL432038
Prediction Result:
Inactive99.97%

GRM8_HUMAN

Docking Scores:
-5.00 -4.90 -4.20
Similarity Score:
15.15%
Best Match:
CHEMBL280563
Prediction Result:
Inactive99.99%

HRH1_HUMAN

Docking Scores:
-5.96
Similarity Score:
11.32%
Best Match:
CHEMBL21731
Prediction Result:
N/A

HRH2_HUMAN

Docking Scores:
-5.76 -4.90 -5.62
Similarity Score:
11.32%
Best Match:
CHEMBL21731
Prediction Result:
Active86.11%

HRH3_HUMAN

Docking Scores:
-4.91 -4.64 -4.71
Similarity Score:
35.29%
Best Match:
CHEMBL1190
Prediction Result:
Active81.30%

HRH4_HUMAN

Docking Scores:
-5.19 -4.79 -5.04
Similarity Score:
13.04%
Best Match:
CHEMBL1824228
Prediction Result:
Inactive50.12%

MC3R_HUMAN

Docking Scores:
-5.69 -4.93 -4.77
Similarity Score:
8.70%
Best Match:
CHEMBL407135
Prediction Result:
Inactive73.84%

MC4R_HUMAN

Docking Scores:
-4.27 -3.81 -4.64
Similarity Score:
12.24%
Best Match:
CHEMBL1499792
Prediction Result:
Inactive99.99%

MC5R_HUMAN

Docking Scores:
-4.31 -5.55 -4.31
Similarity Score:
8.70%
Best Match:
CHEMBL407135
Prediction Result:
Inactive54.37%

MSHR_HUMAN

Docking Scores:
-5.15 -4.80 -5.26
Similarity Score:
6.25%
Best Match:
CHEMBL1761872
Prediction Result:
Inactive84.11%

NK1R_HUMAN

Docking Scores:
-4.99 -5.15 -4.97
Similarity Score:
10.53%
Best Match:
CHEMBL143813
Prediction Result:
N/A

NK2R_HUMAN

Docking Scores:
-5.09 -5.05 -5.07
Similarity Score:
6.90%
Best Match:
CHEMBL17157
Prediction Result:
Inactive99.75%

NPBW1_HUMAN

Docking Scores:
-4.94 -4.31 -4.61
Similarity Score:
4.05%
Best Match:
CHEMBL1940538
Prediction Result:
Inactive86.10%

NPFF1_HUMAN

Docking Scores:
-4.92 -4.95 -4.70
Similarity Score:
6.90%
Best Match:
CHEMBL3360829
Prediction Result:
Inactive59.89%

NPSR1_HUMAN

Docking Scores:
-5.20 -5.56 -5.63
Similarity Score:
5.71%
Best Match:
CHEMBL1210242
Prediction Result:
Inactive89.82%

NPY1R_HUMAN

Docking Scores:
-5.47 -5.70 -4.44
Similarity Score:
9.62%
Best Match:
CHEMBL3559801
Prediction Result:
N/A

NPY2R_HUMAN

Docking Scores:
-5.64 -4.56 -4.72
Similarity Score:
9.62%
Best Match:
CHEMBL3559801
Prediction Result:
Inactive81.47%

NPY4R_HUMAN

Docking Scores:
-4.72 -5.06 -4.55
Similarity Score:
9.62%
Best Match:
CHEMBL3559801
Prediction Result:
Active87.81%

NPY5R_HUMAN

Docking Scores:
-4.98 -5.39 -5.02
Similarity Score:
9.62%
Best Match:
CHEMBL3559801
Prediction Result:
Inactive94.88%

OPRD_HUMAN

Docking Scores:
-5.45 -4.22 -4.24
Similarity Score:
11.76%
Best Match:
CHEMBL330291
Prediction Result:
N/A

OPRK_HUMAN

Docking Scores:
-5.71 -5.40 -5.62
Similarity Score:
24.00%
Best Match:
CHEMBL2432039
Prediction Result:
N/A

OPRM_HUMAN

Docking Scores:
-5.55 -4.41 -4.85
Similarity Score:
50.00%
Best Match:
CHEMBL123693
Prediction Result:
Inactive67.42%

OPRX_HUMAN

Docking Scores:
-4.81 -4.81 -4.75
Similarity Score:
12.50%
Best Match:
CHEMBL53256
Prediction Result:
N/A

PTAFR_HUMAN

Docking Scores:
-5.23 -5.98 -6.41
Similarity Score:
8.11%
Best Match:
CHEMBL514432
Prediction Result:
Inactive90.73%

TAAR1_HUMAN

Docking Scores:
-5.42 -5.42 -5.19
Similarity Score:
12.00%
Best Match:
CHEMBL1734759
Prediction Result:
Active88.18%

TSHR_HUMAN

Docking Scores:
-5.81 -5.38 -5.72
Similarity Score:
5.22%
Best Match:
CHEMBL3945037
Prediction Result:
Inactive92.49%

V1AR_HUMAN

Docking Scores:
-5.13 -5.01 -5.26
Similarity Score:
8.70%
Best Match:
CHEMBL1083095
Prediction Result:
Inactive95.97%

VIPR1_HUMAN

Docking Scores:
-5.40 -5.28 -5.24
Similarity Score:
3.85%
Best Match:
CHEMBL483749
Prediction Result:
N/A