C64 #40 Output Download CSV

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

Docking Scores:
-8.50 -8.26 -10.08
Similarity Score:
70.94%
Best Match:
CHEMBL1221452
Prediction Result:
Active93.27%

5HT1B_HUMAN

Docking Scores:
-8.95 -9.41 -9.81
Similarity Score:
53.85%
Best Match:
CHEMBL292759
Prediction Result:
N/A

5HT1D_HUMAN

Docking Scores:
-9.84 -9.08 -8.14
Similarity Score:
53.85%
Best Match:
CHEMBL292759
Prediction Result:
N/A

5HT1E_HUMAN

Docking Scores:
-9.63 -9.12 -8.83
Similarity Score:
39.15%
Best Match:
CHEMBL29410
Prediction Result:
Inactive50.02%

5HT1F_HUMAN

Docking Scores:
-9.40 -9.63 -9.79
Similarity Score:
53.85%
Best Match:
CHEMBL292759
Prediction Result:
Active84.85%

5HT2A_HUMAN

Docking Scores:
-9.27 -9.50
Similarity Score:
70.94%
Best Match:
CHEMBL1221452
Prediction Result:
N/A

5HT2B_HUMAN

Docking Scores:
-8.69 -9.37 -9.02
Similarity Score:
53.85%
Best Match:
CHEMBL292759
Prediction Result:
N/A

5HT2C_HUMAN

Docking Scores:
-9.21 -10.07
Similarity Score:
70.94%
Best Match:
CHEMBL1221452
Prediction Result:
N/A

5HT4R_HUMAN

Docking Scores:
-9.17 -8.96 -8.44
Similarity Score:
42.01%
Best Match:
CHEMBL90559
Prediction Result:
Inactive55.71%

5HT5A_HUMAN

Docking Scores:
-8.60 -7.59 -8.18
Similarity Score:
38.51%
Best Match:
CHEMBL538029
Prediction Result:
Inactive70.41%

5HT6R_HUMAN

Docking Scores:
-8.57 -9.18 -10.05
Similarity Score:
70.94%
Best Match:
CHEMBL1221452
Prediction Result:
Active95.15%

5HT7R_HUMAN

Docking Scores:
-9.43 -9.75 -9.67
Similarity Score:
56.59%
Best Match:
CHEMBL523519
Prediction Result:
Active88.55%

AA1R_HUMAN

Docking Scores:
-9.04 -8.95 -8.78
Similarity Score:
36.36%
Best Match:
CHEMBL1170137
Prediction Result:
N/A

AA2AR_HUMAN

Docking Scores:
-8.56 -8.57 -8.91
Similarity Score:
37.70%
Best Match:
CHEMBL482648
Prediction Result:
N/A

AA2BR_HUMAN

Docking Scores:
-8.91 -8.93 -8.90
Similarity Score:
38.02%
Best Match:
CHEMBL520899
Prediction Result:
Active62.12%

AA3R_HUMAN

Docking Scores:
-6.39 -6.03 -8.98
Similarity Score:
42.49%
Best Match:
CHEMBL603
Prediction Result:
Active58.00%

ACM1_HUMAN

Docking Scores:
-7.90 -0.89
Similarity Score:
50.41%
Best Match:
CHEMBL1455766
Prediction Result:
N/A

ACM2_HUMAN

Docking Scores:
-8.75 -8.30 -8.46
Similarity Score:
50.41%
Best Match:
CHEMBL1713967
Prediction Result:
Active58.42%

ACM3_HUMAN

Docking Scores:
-9.95 -10.42 -9.52
Similarity Score:
53.57%
Best Match:
CHEMBL494778
Prediction Result:
Active83.29%

ACM4_HUMAN

Docking Scores:
-7.72 -8.74
Similarity Score:
50.41%
Best Match:
CHEMBL1455766
Prediction Result:
N/A

ACM5_HUMAN

Docking Scores:
-10.41 -10.35 -10.20
Similarity Score:
50.00%
Best Match:
CHEMBL3329736
Prediction Result:
Active89.01%

ACTHR_HUMAN

Docking Scores:
-9.50 -9.88 -8.40
Similarity Score:
N/A
Best Match:
N/A
Prediction Result:
N/A

ADA1D_HUMAN

Docking Scores:
-8.51 -8.64 -8.49
Similarity Score:
46.58%
Best Match:
CHEMBL236830
Prediction Result:
Active50.24%

ADA2A_HUMAN

Docking Scores:
-2.17 0.58 2.27
Similarity Score:
52.46%
Best Match:
CHEMBL1221499
Prediction Result:
Inactive99.99%

ADA2B_HUMAN

Docking Scores:
-9.78 -8.23 -8.97
Similarity Score:
31.41%
Best Match:
CHEMBL346389
Prediction Result:
Active66.19%

ADA2C_HUMAN

Docking Scores:
0.55 2.58 2.34
Similarity Score:
50.41%
Best Match:
CHEMBL1455766
Prediction Result:
Inactive99.99%

ADRB1_HUMAN

Docking Scores:
-8.98 -8.83 -9.25
Similarity Score:
56.55%
Best Match:
CHEMBL417250
Prediction Result:
Active83.54%

ADRB2_HUMAN

Docking Scores:
-8.61 -7.92 -9.45
Similarity Score:
60.00%
Best Match:
CHEMBL1375364
Prediction Result:
N/A

ADRB3_HUMAN

Docking Scores:
-9.52 -9.10 -9.49
Similarity Score:
56.55%
Best Match:
CHEMBL417250
Prediction Result:
N/A

AGTR2_HUMAN

Docking Scores:
-9.29 -9.24 -9.13
Similarity Score:
37.21%
Best Match:
CHEMBL216515
Prediction Result:
N/A

BKRB2_HUMAN

Docking Scores:
-9.32 -10.37 -10.94
Similarity Score:
38.27%
Best Match:
CHEMBL208738
Prediction Result:
Inactive56.03%

CALCR_HUMAN

Docking Scores:
-8.37 -7.65 -8.47
Similarity Score:
17.17%
Best Match:
CHEMBL2369897
Prediction Result:
Inactive98.14%

CCKAR_HUMAN

Docking Scores:
-8.31 -8.38 -8.72
Similarity Score:
37.10%
Best Match:
CHEMBL217595
Prediction Result:
Inactive87.79%

CCR1_HUMAN

Docking Scores:
-8.45 -7.37 -8.35
Similarity Score:
45.77%
Best Match:
CHEMBL1171758
Prediction Result:
Inactive67.18%

CCR2_HUMAN

Docking Scores:
-7.78 -9.29 -8.10
Similarity Score:
45.77%
Best Match:
CHEMBL1171758
Prediction Result:
Active54.03%

CCR4_HUMAN

Docking Scores:
-8.12 -7.89 -8.37
Similarity Score:
42.48%
Best Match:
CHEMBL1171786
Prediction Result:
Inactive65.07%

CCR5_HUMAN

Docking Scores:
-8.68 -8.52 -8.63
Similarity Score:
42.48%
Best Match:
CHEMBL1171786
Prediction Result:
Inactive85.07%

CLTR1_HUMAN

Docking Scores:
-7.79 -8.90 -10.03
Similarity Score:
44.25%
Best Match:
CHEMBL1214096
Prediction Result:
Active65.33%

CNR1_HUMAN

Docking Scores:
-9.22 -10.55 -10.79
Similarity Score:
100.00%
Best Match:
CHEMBL2336543
Prediction Result:
N/A

CNR2_HUMAN

Docking Scores:
-10.39 -10.31
Similarity Score:
100.00%
Best Match:
CHEMBL2326297
Prediction Result:
N/A

CXCR1_HUMAN

Docking Scores:
-3.13
Similarity Score:
37.34%
Best Match:
CHEMBL376540
Prediction Result:
N/A

CXCR2_HUMAN

Docking Scores:
-8.90 -7.29 -7.56
Similarity Score:
37.34%
Best Match:
CHEMBL376540
Prediction Result:
Inactive56.06%

CXCR3_HUMAN

Docking Scores:
-8.84 -9.00 -9.12
Similarity Score:
68.47%
Best Match:
CHEMBL1085258
Prediction Result:
Active76.64%

CXCR4_HUMAN

Docking Scores:
-8.15 -7.61 -7.41
Similarity Score:
43.93%
Best Match:
CHEMBL4100900
Prediction Result:
N/A

DRD1_HUMAN

Docking Scores:
-9.57 -8.74 -8.82
Similarity Score:
45.21%
Best Match:
CHEMBL599487
Prediction Result:
Active64.03%

DRD2_HUMAN

Docking Scores:
-8.38
Similarity Score:
53.23%
Best Match:
CHEMBL231326
Prediction Result:
N/A

DRD3_HUMAN

Docking Scores:
-8.53
Similarity Score:
70.94%
Best Match:
CHEMBL1221452
Prediction Result:
N/A

DRD4_HUMAN

Docking Scores:
-9.62 -9.82
Similarity Score:
46.38%
Best Match:
CHEMBL194755
Prediction Result:
N/A

DRD5_HUMAN

Docking Scores:
-8.72 -10.00 -8.90
Similarity Score:
47.71%
Best Match:
CHEMBL394110
Prediction Result:
Active80.58%

EDNRA_HUMAN

Docking Scores:
-7.75 -7.62 -7.60
Similarity Score:
42.86%
Best Match:
CHEMBL266277
Prediction Result:
Active63.00%

GABR1_HUMAN

Docking Scores:
4.03 -2.55 21.68
Similarity Score:
16.96%
Best Match:
CHEMBL2391908
Prediction Result:
Inactive99.99%

GASR_HUMAN

Docking Scores:
-8.12 -9.13 -7.23
Similarity Score:
43.93%
Best Match:
CHEMBL215416
Prediction Result:
Inactive67.42%

GRM1_HUMAN

Docking Scores:
-8.98 -9.70 -7.70
Similarity Score:
33.73%
Best Match:
CHEMBL3759211
Prediction Result:
Inactive60.03%

GRM2_HUMAN

Docking Scores:
-0.68 0.34 -0.76
Similarity Score:
51.45%
Best Match:
CHEMBL421406
Prediction Result:
Inactive99.99%

GRM3_HUMAN

Docking Scores:
-0.93 -3.81 -4.57
Similarity Score:
25.47%
Best Match:
CHEMBL3747073
Prediction Result:
Inactive99.99%

GRM4_HUMAN

Docking Scores:
2.51 3.32 1.93
Similarity Score:
55.47%
Best Match:
CHEMBL1921853
Prediction Result:
Inactive99.99%

GRM5_HUMAN

Docking Scores:
-5.87 -7.97 -7.72
Similarity Score:
39.86%
Best Match:
CHEMBL4068775
Prediction Result:
N/A

GRM6_HUMAN

Docking Scores:
-2.90 -6.19 -3.31
Similarity Score:
22.50%
Best Match:
CHEMBL1585091
Prediction Result:
Inactive99.99%

GRM7_HUMAN

Docking Scores:
0.46 1.96 -0.97
Similarity Score:
28.95%
Best Match:
CHEMBL3560146
Prediction Result:
Inactive99.99%

GRM8_HUMAN

Docking Scores:
-0.69 2.90 0.78
Similarity Score:
28.95%
Best Match:
CHEMBL3560146
Prediction Result:
Inactive99.99%

HRH1_HUMAN

Docking Scores:
-6.56
Similarity Score:
50.41%
Best Match:
CHEMBL1455766
Prediction Result:
N/A

HRH2_HUMAN

Docking Scores:
-9.67 -9.11 -8.99
Similarity Score:
36.75%
Best Match:
CHEMBL321709
Prediction Result:
Active98.59%

HRH3_HUMAN

Docking Scores:
-7.89 -8.91 -8.51
Similarity Score:
48.23%
Best Match:
CHEMBL2021983
Prediction Result:
Active67.81%

HRH4_HUMAN

Docking Scores:
-8.57 -8.93 -8.70
Similarity Score:
33.82%
Best Match:
CHEMBL511
Prediction Result:
Inactive64.56%

MC3R_HUMAN

Docking Scores:
-8.63 -8.17 -8.21
Similarity Score:
28.33%
Best Match:
CHEMBL467586
Prediction Result:
Inactive73.15%

MC4R_HUMAN

Docking Scores:
-8.25 -7.49 -7.64
Similarity Score:
40.10%
Best Match:
CHEMBL1537104
Prediction Result:
Inactive88.69%

MC5R_HUMAN

Docking Scores:
-7.21 -9.76 -4.22
Similarity Score:
35.64%
Best Match:
CHEMBL2113139
Prediction Result:
Inactive99.99%

MSHR_HUMAN

Docking Scores:
-9.96 -8.64 -8.47
Similarity Score:
34.38%
Best Match:
CHEMBL429212
Prediction Result:
Inactive77.27%

NK1R_HUMAN

Docking Scores:
-8.76 -8.72 -8.51
Similarity Score:
39.87%
Best Match:
CHEMBL329007
Prediction Result:
N/A

NK2R_HUMAN

Docking Scores:
-8.79 -8.20 -8.52
Similarity Score:
32.43%
Best Match:
CHEMBL280789
Prediction Result:
Inactive95.34%

NPBW1_HUMAN

Docking Scores:
-8.35 -8.21 -8.41
Similarity Score:
26.37%
Best Match:
CHEMBL1940354
Prediction Result:
Inactive90.58%

NPFF1_HUMAN

Docking Scores:
-8.01 -7.69 -8.07
Similarity Score:
30.00%
Best Match:
CHEMBL3361420
Prediction Result:
Inactive79.67%

NPSR1_HUMAN

Docking Scores:
-9.46 -9.66 -8.68
Similarity Score:
25.64%
Best Match:
CHEMBL1289780
Prediction Result:
Inactive61.32%

NPY1R_HUMAN

Docking Scores:
-9.68 -8.80 -9.14
Similarity Score:
33.33%
Best Match:
CHEMBL2046862
Prediction Result:
N/A

NPY2R_HUMAN

Docking Scores:
-7.80 -8.45 -8.08
Similarity Score:
47.33%
Best Match:
CHEMBL1427860
Prediction Result:
Inactive90.10%

NPY4R_HUMAN

Docking Scores:
-8.64 -8.39 -8.13
Similarity Score:
21.95%
Best Match:
CHEMBL3559801
Prediction Result:
Inactive74.29%

NPY5R_HUMAN

Docking Scores:
-7.88 -7.42 -7.57
Similarity Score:
49.28%
Best Match:
CHEMBL16965
Prediction Result:
Inactive62.81%

OPRD_HUMAN

Docking Scores:
-7.66 -6.86 -7.65
Similarity Score:
44.12%
Best Match:
CHEMBL401594
Prediction Result:
N/A

OPRK_HUMAN

Docking Scores:
-9.58 -8.66 -8.64
Similarity Score:
63.33%
Best Match:
CHEMBL1713635
Prediction Result:
N/A

OPRM_HUMAN

Docking Scores:
-8.96 -7.64 -7.91
Similarity Score:
54.48%
Best Match:
CHEMBL1712885
Prediction Result:
Active51.45%

OPRX_HUMAN

Docking Scores:
-8.51 -7.33 -7.70
Similarity Score:
39.71%
Best Match:
CHEMBL3942616
Prediction Result:
N/A

PTAFR_HUMAN

Docking Scores:
-8.21 -8.94 -8.51
Similarity Score:
35.44%
Best Match:
CHEMBL418608
Prediction Result:
Inactive53.88%

TAAR1_HUMAN

Docking Scores:
-9.27 -9.82 -9.43
Similarity Score:
48.18%
Best Match:
CHEMBL1558546
Prediction Result:
Inactive63.64%

TSHR_HUMAN

Docking Scores:
-9.94 -9.77 -9.67
Similarity Score:
31.11%
Best Match:
CHEMBL1719708
Prediction Result:
Inactive95.04%

V1AR_HUMAN

Docking Scores:
-8.48 -8.52 -8.71
Similarity Score:
52.74%
Best Match:
CHEMBL200682
Prediction Result:
Active55.86%

VIPR1_HUMAN

Docking Scores:
-8.73 -9.19 -8.79
Similarity Score:
23.04%
Best Match:
CHEMBL1784685
Prediction Result:
N/A