sinomenine #467 Output Download CSV

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

Docking Scores:
-8.05 -7.34 -8.59
Similarity Score:
55.26%
Best Match:
CHEMBL160096
Prediction Result:
Active54.08%

5HT1B_HUMAN

Docking Scores:
-8.21 -8.38 -7.35
Similarity Score:
50.96%
Best Match:
CHEMBL29951
Prediction Result:
N/A

5HT1D_HUMAN

Docking Scores:
-8.32 -6.18 -7.29
Similarity Score:
50.96%
Best Match:
CHEMBL29951
Prediction Result:
N/A

5HT1E_HUMAN

Docking Scores:
-7.80 -6.80 -6.54
Similarity Score:
32.58%
Best Match:
CHEMBL137781
Prediction Result:
Active55.96%

5HT1F_HUMAN

Docking Scores:
-8.81 -8.62 -8.78
Similarity Score:
29.85%
Best Match:
CHEMBL3616488
Prediction Result:
Inactive62.69%

5HT2A_HUMAN

Docking Scores:
-8.05 -8.02
Similarity Score:
53.99%
Best Match:
CHEMBL4206824
Prediction Result:
N/A

5HT2B_HUMAN

Docking Scores:
-8.57 -8.91 -7.81
Similarity Score:
45.83%
Best Match:
CHEMBL4472703
Prediction Result:
N/A

5HT2C_HUMAN

Docking Scores:
-7.86 -7.39
Similarity Score:
46.67%
Best Match:
CHEMBL155388
Prediction Result:
N/A

5HT4R_HUMAN

Docking Scores:
-8.38 -8.74 -7.64
Similarity Score:
40.33%
Best Match:
CHEMBL4580044
Prediction Result:
Inactive64.98%

5HT5A_HUMAN

Docking Scores:
-8.71 -7.70 -8.24
Similarity Score:
51.02%
Best Match:
CHEMBL278751
Prediction Result:
Inactive54.96%

5HT6R_HUMAN

Docking Scores:
-7.70 -7.71 -8.24
Similarity Score:
40.10%
Best Match:
CHEMBL464099
Prediction Result:
Active65.92%

5HT7R_HUMAN

Docking Scores:
-9.01 -8.52 -7.52
Similarity Score:
47.34%
Best Match:
CHEMBL70048
Prediction Result:
Active64.17%

AA1R_HUMAN

Docking Scores:
-7.49 -8.42 -5.99
Similarity Score:
37.70%
Best Match:
CHEMBL1269107
Prediction Result:
N/A

AA2AR_HUMAN

Docking Scores:
-6.15 -6.55 -7.67
Similarity Score:
42.25%
Best Match:
CHEMBL539454
Prediction Result:
N/A

AA2BR_HUMAN

Docking Scores:
-8.23 -8.43 -8.43
Similarity Score:
30.08%
Best Match:
CHEMBL432273
Prediction Result:
Inactive65.72%

AA3R_HUMAN

Docking Scores:
-4.48 -3.02 -7.86
Similarity Score:
30.93%
Best Match:
CHEMBL3601563
Prediction Result:
Inactive99.99%

ACM1_HUMAN

Docking Scores:
-8.85 9.21
Similarity Score:
43.68%
Best Match:
CHEMBL148450
Prediction Result:
N/A

ACM2_HUMAN

Docking Scores:
-9.15 -8.81 -8.19
Similarity Score:
45.70%
Best Match:
CHEMBL4085150
Prediction Result:
Active64.57%

ACM3_HUMAN

Docking Scores:
-8.97 -9.89 -9.13
Similarity Score:
46.00%
Best Match:
CHEMBL4075227
Prediction Result:
Active53.67%

ACM4_HUMAN

Docking Scores:
-7.76 -6.03
Similarity Score:
43.23%
Best Match:
CHEMBL1101
Prediction Result:
N/A

ACM5_HUMAN

Docking Scores:
-8.90 -8.22 -7.34
Similarity Score:
40.10%
Best Match:
CHEMBL2312378
Prediction Result:
Active77.59%

ACTHR_HUMAN

Docking Scores:
-8.94 -8.79 -8.84
Similarity Score:
N/A
Best Match:
N/A
Prediction Result:
N/A

ADA1D_HUMAN

Docking Scores:
-8.25 -7.58 -8.63
Similarity Score:
49.32%
Best Match:
CHEMBL299031
Prediction Result:
Active58.87%

ADA2A_HUMAN

Docking Scores:
-3.46 -7.21 0.64
Similarity Score:
52.83%
Best Match:
CHEMBL50588
Prediction Result:
Inactive99.99%

ADA2B_HUMAN

Docking Scores:
-7.83 -3.39 -5.98
Similarity Score:
45.21%
Best Match:
CHEMBL4513786
Prediction Result:
Inactive99.99%

ADA2C_HUMAN

Docking Scores:
3.70 3.87 2.65
Similarity Score:
52.83%
Best Match:
CHEMBL50588
Prediction Result:
Inactive99.99%

ADRB1_HUMAN

Docking Scores:
-8.03 -8.03 -8.27
Similarity Score:
44.07%
Best Match:
CHEMBL498531
Prediction Result:
Active57.38%

ADRB2_HUMAN

Docking Scores:
-6.41 -7.12 -9.02
Similarity Score:
45.30%
Best Match:
CHEMBL1714856
Prediction Result:
N/A

ADRB3_HUMAN

Docking Scores:
-7.96 -7.07 -7.94
Similarity Score:
45.09%
Best Match:
CHEMBL498305
Prediction Result:
N/A

AGTR2_HUMAN

Docking Scores:
-7.45 -7.84 -7.62
Similarity Score:
47.76%
Best Match:
CHEMBL154057
Prediction Result:
N/A

BKRB2_HUMAN

Docking Scores:
-8.92 -9.79 -9.13
Similarity Score:
34.55%
Best Match:
CHEMBL2105864
Prediction Result:
Inactive66.12%

CALCR_HUMAN

Docking Scores:
-7.60 -7.92 -7.81
Similarity Score:
33.18%
Best Match:
CHEMBL2369895
Prediction Result:
Inactive98.18%

CCKAR_HUMAN

Docking Scores:
-8.27 -7.75 -8.51
Similarity Score:
33.04%
Best Match:
CHEMBL4467402
Prediction Result:
Inactive95.34%

CCR1_HUMAN

Docking Scores:
-6.95 -7.51 -7.23
Similarity Score:
38.04%
Best Match:
CHEMBL33277
Prediction Result:
Inactive96.06%

CCR2_HUMAN

Docking Scores:
-7.90 -8.24 -7.67
Similarity Score:
46.56%
Best Match:
CHEMBL3417216
Prediction Result:
Inactive51.40%

CCR4_HUMAN

Docking Scores:
-6.48 -6.32 -6.45
Similarity Score:
32.95%
Best Match:
CHEMBL1621896
Prediction Result:
Inactive79.69%

CCR5_HUMAN

Docking Scores:
-7.88 -7.77 -7.95
Similarity Score:
43.01%
Best Match:
CHEMBL368183
Prediction Result:
Inactive95.15%

CLTR1_HUMAN

Docking Scores:
-7.66 -8.07 -8.96
Similarity Score:
32.73%
Best Match:
CHEMBL3597526
Prediction Result:
Inactive91.21%

CNR1_HUMAN

Docking Scores:
-7.83 -8.11 -7.13
Similarity Score:
55.03%
Best Match:
CHEMBL344623
Prediction Result:
N/A

CNR2_HUMAN

Docking Scores:
-9.15 -8.75
Similarity Score:
53.14%
Best Match:
CHEMBL4089791
Prediction Result:
N/A

CXCR1_HUMAN

Docking Scores:
-6.89
Similarity Score:
31.25%
Best Match:
CHEMBL220182
Prediction Result:
N/A

CXCR2_HUMAN

Docking Scores:
-7.97 -6.96 -7.57
Similarity Score:
36.41%
Best Match:
CHEMBL3645131
Prediction Result:
Inactive67.92%

CXCR3_HUMAN

Docking Scores:
-8.50 -8.28 -8.14
Similarity Score:
43.72%
Best Match:
CHEMBL3697082
Prediction Result:
Inactive90.50%

CXCR4_HUMAN

Docking Scores:
-8.30 -6.88 -7.98
Similarity Score:
45.83%
Best Match:
CHEMBL2029611
Prediction Result:
N/A

DRD1_HUMAN

Docking Scores:
-7.84 -9.10 -8.54
Similarity Score:
53.47%
Best Match:
CHEMBL405519
Prediction Result:
Active87.52%

DRD2_HUMAN

Docking Scores:
-7.50
Similarity Score:
53.47%
Best Match:
CHEMBL405519
Prediction Result:
N/A

DRD3_HUMAN

Docking Scores:
-8.66
Similarity Score:
51.23%
Best Match:
CHEMBL170976
Prediction Result:
N/A

DRD4_HUMAN

Docking Scores:
-7.97 -8.23
Similarity Score:
51.02%
Best Match:
CHEMBL27441
Prediction Result:
N/A

DRD5_HUMAN

Docking Scores:
-7.73 -7.46 -5.92
Similarity Score:
46.83%
Best Match:
CHEMBL3577346
Prediction Result:
Inactive78.44%

EDNRA_HUMAN

Docking Scores:
-7.26 -7.41 -7.65
Similarity Score:
52.20%
Best Match:
CHEMBL323951
Prediction Result:
Active66.13%

GABR1_HUMAN

Docking Scores:
3.29 2.83 15.98
Similarity Score:
21.29%
Best Match:
CHEMBL2391908
Prediction Result:
Inactive99.99%

GASR_HUMAN

Docking Scores:
-7.96 -7.32 -6.42
Similarity Score:
45.19%
Best Match:
CHEMBL452991
Prediction Result:
Inactive73.69%

GRM1_HUMAN

Docking Scores:
-8.00 -6.89 -6.61
Similarity Score:
36.04%
Best Match:
CHEMBL2111944
Prediction Result:
Inactive62.76%

GRM2_HUMAN

Docking Scores:
-0.94 0.16 -1.07
Similarity Score:
40.91%
Best Match:
CHEMBL341457
Prediction Result:
Inactive99.99%

GRM3_HUMAN

Docking Scores:
-4.25 -5.46 -4.94
Similarity Score:
40.91%
Best Match:
CHEMBL341457
Prediction Result:
Inactive99.99%

GRM4_HUMAN

Docking Scores:
3.16 4.68 4.57
Similarity Score:
28.98%
Best Match:
CHEMBL2063423
Prediction Result:
Inactive99.99%

GRM5_HUMAN

Docking Scores:
-6.13 1.08 -5.96
Similarity Score:
38.22%
Best Match:
CHEMBL1289626
Prediction Result:
N/A

GRM6_HUMAN

Docking Scores:
-7.17 -6.77 -6.77
Similarity Score:
22.15%
Best Match:
CHEMBL2381641
Prediction Result:
Inactive97.25%

GRM7_HUMAN

Docking Scores:
-1.51 2.54 1.01
Similarity Score:
36.69%
Best Match:
CHEMBL432038
Prediction Result:
Inactive99.99%

GRM8_HUMAN

Docking Scores:
4.03 3.36 6.28
Similarity Score:
37.28%
Best Match:
CHEMBL97200
Prediction Result:
Inactive99.99%

HRH1_HUMAN

Docking Scores:
-3.99
Similarity Score:
45.20%
Best Match:
CHEMBL1277125
Prediction Result:
N/A

HRH2_HUMAN

Docking Scores:
-8.24 -8.19 -7.88
Similarity Score:
43.11%
Best Match:
CHEMBL490632
Prediction Result:
Active96.98%

HRH3_HUMAN

Docking Scores:
-6.53 -9.36 -8.98
Similarity Score:
48.45%
Best Match:
CHEMBL4461203
Prediction Result:
Active59.02%

HRH4_HUMAN

Docking Scores:
-8.11 -8.07 -8.62
Similarity Score:
32.68%
Best Match:
CHEMBL4102243
Prediction Result:
Inactive62.88%

MC3R_HUMAN

Docking Scores:
-7.56 -7.90 -7.33
Similarity Score:
40.70%
Best Match:
CHEMBL192450
Prediction Result:
Inactive66.05%

MC4R_HUMAN

Docking Scores:
-7.28 -7.18 -7.03
Similarity Score:
41.59%
Best Match:
CHEMBL29693
Prediction Result:
Inactive88.22%

MC5R_HUMAN

Docking Scores:
-5.49 -5.34 -4.26
Similarity Score:
41.36%
Best Match:
CHEMBL3919100
Prediction Result:
Active51.50%

MSHR_HUMAN

Docking Scores:
-6.92 -7.40 -8.16
Similarity Score:
41.28%
Best Match:
CHEMBL442537
Prediction Result:
Inactive55.63%

NK1R_HUMAN

Docking Scores:
-8.46 -8.23 -7.68
Similarity Score:
50.31%
Best Match:
CHEMBL2114439
Prediction Result:
N/A

NK2R_HUMAN

Docking Scores:
-7.72 -8.09 -8.37
Similarity Score:
41.45%
Best Match:
CHEMBL504342
Prediction Result:
Inactive98.26%

NPBW1_HUMAN

Docking Scores:
-7.34 -7.66 -8.68
Similarity Score:
33.48%
Best Match:
CHEMBL1940539
Prediction Result:
Inactive86.85%

NPFF1_HUMAN

Docking Scores:
-8.12 -7.86 -8.12
Similarity Score:
36.31%
Best Match:
CHEMBL4442534
Prediction Result:
Inactive68.80%

NPSR1_HUMAN

Docking Scores:
-7.75 -8.70 -7.98
Similarity Score:
35.43%
Best Match:
CHEMBL1801360
Prediction Result:
Inactive64.46%

NPY1R_HUMAN

Docking Scores:
-8.80 -8.71 -8.77
Similarity Score:
43.71%
Best Match:
CHEMBL549377
Prediction Result:
N/A

NPY2R_HUMAN

Docking Scores:
-7.61 -7.75 -7.17
Similarity Score:
37.16%
Best Match:
CHEMBL2371908
Prediction Result:
Inactive95.58%

NPY4R_HUMAN

Docking Scores:
-8.63 -8.97 -8.43
Similarity Score:
40.33%
Best Match:
CHEMBL4559081
Prediction Result:
Inactive90.68%

NPY5R_HUMAN

Docking Scores:
-8.04 -8.09 -7.49
Similarity Score:
51.70%
Best Match:
CHEMBL68467
Prediction Result:
Inactive58.77%

OPRD_HUMAN

Docking Scores:
-7.48 -6.81 -7.62
Similarity Score:
71.43%
Best Match:
CHEMBL110124
Prediction Result:
N/A

OPRK_HUMAN

Docking Scores:
-9.32 -8.55 -7.90
Similarity Score:
71.43%
Best Match:
CHEMBL110124
Prediction Result:
N/A

OPRM_HUMAN

Docking Scores:
-8.08 -7.24 -7.11
Similarity Score:
74.86%
Best Match:
CHEMBL257627
Prediction Result:
Active73.43%

OPRX_HUMAN

Docking Scores:
-7.34 -6.86 -7.28
Similarity Score:
57.84%
Best Match:
CHEMBL3262362
Prediction Result:
N/A

PTAFR_HUMAN

Docking Scores:
-7.39 -7.15 -7.50
Similarity Score:
41.04%
Best Match:
CHEMBL97120
Prediction Result:
Active55.18%

TAAR1_HUMAN

Docking Scores:
-7.25 -8.85 -8.63
Similarity Score:
47.89%
Best Match:
CHEMBL3211097
Prediction Result:
Inactive54.08%

TSHR_HUMAN

Docking Scores:
-8.98 -9.96 -8.67
Similarity Score:
36.49%
Best Match:
CHEMBL3897841
Prediction Result:
Inactive85.52%

V1AR_HUMAN

Docking Scores:
-6.99 -7.72 -7.91
Similarity Score:
41.33%
Best Match:
CHEMBL249741
Prediction Result:
Inactive93.74%

VIPR1_HUMAN

Docking Scores:
-7.13 -7.98 -8.52
Similarity Score:
30.49%
Best Match:
CHEMBL4291903
Prediction Result:
N/A