MITRAGYNINE #64 Output Download CSV

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

Docking Scores:
-8.12 -6.56 -8.01
Similarity Score:
56.83%
Best Match:
CHEMBL163884
Prediction Result:
Inactive54.77%

5HT1B_HUMAN

Docking Scores:
-8.09 -8.96 -7.75
Similarity Score:
56.12%
Best Match:
CHEMBL111107
Prediction Result:
N/A

5HT1D_HUMAN

Docking Scores:
-8.15 -6.98 -8.14
Similarity Score:
49.73%
Best Match:
CHEMBL267615
Prediction Result:
N/A

5HT1E_HUMAN

Docking Scores:
-7.24 -8.12 -7.60
Similarity Score:
49.73%
Best Match:
CHEMBL267615
Prediction Result:
Active60.98%

5HT1F_HUMAN

Docking Scores:
-9.24 -9.59 -9.26
Similarity Score:
38.81%
Best Match:
CHEMBL263700
Prediction Result:
Inactive56.59%

5HT2A_HUMAN

Docking Scores:
-8.74 -7.93
Similarity Score:
49.73%
Best Match:
CHEMBL267615
Prediction Result:
N/A

5HT2B_HUMAN

Docking Scores:
-8.59 -8.88 -9.03
Similarity Score:
76.88%
Best Match:
CHEMBL15245
Prediction Result:
N/A

5HT2C_HUMAN

Docking Scores:
-8.85 -8.33
Similarity Score:
53.14%
Best Match:
CHEMBL553794
Prediction Result:
N/A

5HT4R_HUMAN

Docking Scores:
-8.59 -8.43 -7.76
Similarity Score:
47.69%
Best Match:
CHEMBL3901228
Prediction Result:
Inactive54.98%

5HT5A_HUMAN

Docking Scores:
-7.09 -6.91 -7.16
Similarity Score:
54.77%
Best Match:
CHEMBL126823
Prediction Result:
Active67.36%

5HT6R_HUMAN

Docking Scores:
-7.46 -7.18 -7.85
Similarity Score:
76.88%
Best Match:
CHEMBL15245
Prediction Result:
Active98.37%

5HT7R_HUMAN

Docking Scores:
-8.10 -8.85 -8.76
Similarity Score:
65.73%
Best Match:
CHEMBL308461
Prediction Result:
Active94.04%

AA1R_HUMAN

Docking Scores:
-8.06 -8.96 -5.52
Similarity Score:
41.31%
Best Match:
CHEMBL411329
Prediction Result:
N/A

AA2AR_HUMAN

Docking Scores:
-7.80 -7.73 -7.29
Similarity Score:
51.04%
Best Match:
CHEMBL3929822
Prediction Result:
N/A

AA2BR_HUMAN

Docking Scores:
-8.94 -9.45 -8.05
Similarity Score:
39.39%
Best Match:
CHEMBL3317576
Prediction Result:
Inactive62.35%

AA3R_HUMAN

Docking Scores:
-4.82 -2.33 -4.83
Similarity Score:
76.88%
Best Match:
CHEMBL15245
Prediction Result:
Inactive99.99%

ACM1_HUMAN

Docking Scores:
-6.45 7.35
Similarity Score:
47.31%
Best Match:
CHEMBL318995
Prediction Result:
N/A

ACM2_HUMAN

Docking Scores:
-8.76 -8.07 -5.44
Similarity Score:
52.65%
Best Match:
CHEMBL326450
Prediction Result:
Active67.22%

ACM3_HUMAN

Docking Scores:
-8.73 -8.83 -7.80
Similarity Score:
54.29%
Best Match:
CHEMBL105160
Prediction Result:
Active74.09%

ACM4_HUMAN

Docking Scores:
-6.11 -5.18
Similarity Score:
54.29%
Best Match:
CHEMBL105160
Prediction Result:
N/A

ACM5_HUMAN

Docking Scores:
-5.85 -6.90 -8.15
Similarity Score:
46.88%
Best Match:
CHEMBL106219
Prediction Result:
Active72.90%

ACTHR_HUMAN

Docking Scores:
-8.11 -8.28 -8.13
Similarity Score:
N/A
Best Match:
N/A
Prediction Result:
N/A

ADA1D_HUMAN

Docking Scores:
-8.27 -7.70 -8.58
Similarity Score:
76.88%
Best Match:
CHEMBL15245
Prediction Result:
Active94.27%

ADA2A_HUMAN

Docking Scores:
2.19 1.16 3.47
Similarity Score:
80.50%
Best Match:
CHEMBL122404
Prediction Result:
Inactive99.99%

ADA2B_HUMAN

Docking Scores:
-8.20 -8.69 -6.84
Similarity Score:
80.50%
Best Match:
CHEMBL122404
Prediction Result:
Active95.44%

ADA2C_HUMAN

Docking Scores:
0.51 1.86 1.98
Similarity Score:
80.50%
Best Match:
CHEMBL122404
Prediction Result:
Inactive99.99%

ADRB1_HUMAN

Docking Scores:
-9.33 -7.49 -7.98
Similarity Score:
44.14%
Best Match:
CHEMBL463182
Prediction Result:
Inactive58.96%

ADRB2_HUMAN

Docking Scores:
-7.01 -7.83 -9.31
Similarity Score:
45.75%
Best Match:
CHEMBL236042
Prediction Result:
N/A

ADRB3_HUMAN

Docking Scores:
-8.96 -9.14 -8.94
Similarity Score:
45.67%
Best Match:
CHEMBL462780
Prediction Result:
N/A

AGTR2_HUMAN

Docking Scores:
-7.83 -8.08 -7.63
Similarity Score:
43.59%
Best Match:
CHEMBL154057
Prediction Result:
N/A

BKRB2_HUMAN

Docking Scores:
-7.52 -8.06 -7.58
Similarity Score:
44.18%
Best Match:
CHEMBL559565
Prediction Result:
Inactive69.00%

CALCR_HUMAN

Docking Scores:
-7.28 -8.38 -8.29
Similarity Score:
33.71%
Best Match:
CHEMBL2369897
Prediction Result:
Inactive98.04%

CCKAR_HUMAN

Docking Scores:
-8.03 -7.76 -8.22
Similarity Score:
50.39%
Best Match:
CHEMBL2372623
Prediction Result:
Inactive89.84%

CCR1_HUMAN

Docking Scores:
-7.16 -8.49 -7.21
Similarity Score:
49.77%
Best Match:
CHEMBL308209
Prediction Result:
Inactive92.99%

CCR2_HUMAN

Docking Scores:
-7.98 -7.76 -7.07
Similarity Score:
44.75%
Best Match:
CHEMBL3263271
Prediction Result:
Inactive76.06%

CCR4_HUMAN

Docking Scores:
-7.85 -7.47 -7.52
Similarity Score:
40.94%
Best Match:
CHEMBL2435852
Prediction Result:
Inactive63.81%

CCR5_HUMAN

Docking Scores:
-8.03 -7.45 -7.58
Similarity Score:
46.02%
Best Match:
CHEMBL1628706
Prediction Result:
Inactive95.94%

CLTR1_HUMAN

Docking Scores:
-7.87 -8.03 -9.40
Similarity Score:
45.11%
Best Match:
CHEMBL3597626
Prediction Result:
Active58.06%

CNR1_HUMAN

Docking Scores:
-7.13 -7.40 -9.05
Similarity Score:
57.20%
Best Match:
CHEMBL445022
Prediction Result:
N/A

CNR2_HUMAN

Docking Scores:
-9.12 -9.73
Similarity Score:
52.78%
Best Match:
CHEMBL2029729
Prediction Result:
N/A

CXCR1_HUMAN

Docking Scores:
0.28
Similarity Score:
32.45%
Best Match:
CHEMBL556862
Prediction Result:
N/A

CXCR2_HUMAN

Docking Scores:
-7.80 -7.64 -7.23
Similarity Score:
40.83%
Best Match:
CHEMBL404088
Prediction Result:
Inactive50.81%

CXCR3_HUMAN

Docking Scores:
-8.22 -8.17 -8.44
Similarity Score:
43.87%
Best Match:
CHEMBL496564
Prediction Result:
Inactive89.23%

CXCR4_HUMAN

Docking Scores:
-8.73 -7.27 -8.43
Similarity Score:
56.59%
Best Match:
CHEMBL1644072
Prediction Result:
N/A

DRD1_HUMAN

Docking Scores:
-8.08 -8.31 -8.80
Similarity Score:
54.55%
Best Match:
CHEMBL287513
Prediction Result:
Active77.97%

DRD2_HUMAN

Docking Scores:
-7.31
Similarity Score:
76.88%
Best Match:
CHEMBL15245
Prediction Result:
N/A

DRD3_HUMAN

Docking Scores:
-7.75
Similarity Score:
52.86%
Best Match:
CHEMBL136711
Prediction Result:
N/A

DRD4_HUMAN

Docking Scores:
-7.69 -8.92
Similarity Score:
45.75%
Best Match:
CHEMBL310867
Prediction Result:
N/A

DRD5_HUMAN

Docking Scores:
-6.24 -6.55 -8.20
Similarity Score:
50.26%
Best Match:
CHEMBL201584
Prediction Result:
Active67.11%

EDNRA_HUMAN

Docking Scores:
-7.05 -7.88 -7.92
Similarity Score:
47.66%
Best Match:
CHEMBL320631
Prediction Result:
Inactive51.52%

GABR1_HUMAN

Docking Scores:
5.90 6.08 10.52
Similarity Score:
22.41%
Best Match:
CHEMBL2391908
Prediction Result:
Inactive99.99%

GASR_HUMAN

Docking Scores:
-8.02 -7.06 -6.94
Similarity Score:
50.63%
Best Match:
CHEMBL293026
Prediction Result:
Inactive65.45%

GRM1_HUMAN

Docking Scores:
-7.65 -7.57 -5.40
Similarity Score:
44.67%
Best Match:
CHEMBL178741
Prediction Result:
Inactive53.45%

GRM2_HUMAN

Docking Scores:
2.25 3.68 5.23
Similarity Score:
42.80%
Best Match:
CHEMBL3901998
Prediction Result:
Inactive99.99%

GRM3_HUMAN

Docking Scores:
2.90 -0.76 -2.97
Similarity Score:
34.51%
Best Match:
CHEMBL3885379
Prediction Result:
Inactive99.99%

GRM4_HUMAN

Docking Scores:
5.93 6.05 5.91
Similarity Score:
36.80%
Best Match:
CHEMBL1921962
Prediction Result:
Inactive99.99%

GRM5_HUMAN

Docking Scores:
-4.44 -1.46 -2.39
Similarity Score:
49.37%
Best Match:
CHEMBL3672913
Prediction Result:
N/A

GRM6_HUMAN

Docking Scores:
2.04 -0.16 2.63
Similarity Score:
28.52%
Best Match:
CHEMBL1585091
Prediction Result:
Inactive99.99%

GRM7_HUMAN

Docking Scores:
3.39 3.35 5.68
Similarity Score:
33.20%
Best Match:
CHEMBL3560146
Prediction Result:
Inactive99.99%

GRM8_HUMAN

Docking Scores:
0.96 0.27 0.38
Similarity Score:
33.20%
Best Match:
CHEMBL3560146
Prediction Result:
Inactive99.99%

HRH1_HUMAN

Docking Scores:
-4.68
Similarity Score:
49.52%
Best Match:
CHEMBL1783966
Prediction Result:
N/A

HRH2_HUMAN

Docking Scores:
-9.03 -8.57 -8.15
Similarity Score:
41.48%
Best Match:
CHEMBL3104091
Prediction Result:
Active98.59%

HRH3_HUMAN

Docking Scores:
-7.05 -8.66 -8.59
Similarity Score:
50.23%
Best Match:
CHEMBL247933
Prediction Result:
Active68.73%

HRH4_HUMAN

Docking Scores:
-8.39 -7.91 -7.71
Similarity Score:
41.55%
Best Match:
CHEMBL3236550
Prediction Result:
Active57.06%

MC3R_HUMAN

Docking Scores:
-7.31 -7.44 -6.86
Similarity Score:
50.22%
Best Match:
CHEMBL3421676
Prediction Result:
Inactive50.27%

MC4R_HUMAN

Docking Scores:
-6.93 -6.70 -6.99
Similarity Score:
50.39%
Best Match:
CHEMBL1172249
Prediction Result:
Inactive65.49%

MC5R_HUMAN

Docking Scores:
-5.17 -7.43 -4.49
Similarity Score:
50.22%
Best Match:
CHEMBL3421676
Prediction Result:
Active51.09%

MSHR_HUMAN

Docking Scores:
-7.46 -7.78 -7.25
Similarity Score:
50.21%
Best Match:
CHEMBL3421678
Prediction Result:
Inactive57.68%

NK1R_HUMAN

Docking Scores:
-8.32 -7.64 -7.35
Similarity Score:
50.45%
Best Match:
CHEMBL1766207
Prediction Result:
N/A

NK2R_HUMAN

Docking Scores:
-7.82 -8.70 -8.63
Similarity Score:
46.15%
Best Match:
CHEMBL1683150
Prediction Result:
Inactive94.59%

NPBW1_HUMAN

Docking Scores:
-7.55 -7.67 -8.66
Similarity Score:
40.40%
Best Match:
CHEMBL1705499
Prediction Result:
Inactive83.21%

NPFF1_HUMAN

Docking Scores:
-7.91 -7.70 -7.97
Similarity Score:
44.49%
Best Match:
CHEMBL3422516
Prediction Result:
Inactive68.08%

NPSR1_HUMAN

Docking Scores:
-8.12 -8.35 -8.99
Similarity Score:
36.95%
Best Match:
CHEMBL1801360
Prediction Result:
Inactive58.59%

NPY1R_HUMAN

Docking Scores:
-9.24 -8.34 -8.14
Similarity Score:
46.10%
Best Match:
CHEMBL204050
Prediction Result:
N/A

NPY2R_HUMAN

Docking Scores:
-8.23 -8.22 -7.69
Similarity Score:
42.08%
Best Match:
CHEMBL2371910
Prediction Result:
Inactive87.85%

NPY4R_HUMAN

Docking Scores:
-8.69 -8.67 -8.47
Similarity Score:
42.08%
Best Match:
CHEMBL2371910
Prediction Result:
Inactive84.60%

NPY5R_HUMAN

Docking Scores:
-7.98 -7.57 -7.77
Similarity Score:
45.18%
Best Match:
CHEMBL3084877
Prediction Result:
Inactive61.87%

OPRD_HUMAN

Docking Scores:
-7.08 -6.88 -6.92
Similarity Score:
100.00%
Best Match:
CHEMBL299031
Prediction Result:
N/A

OPRK_HUMAN

Docking Scores:
-9.54 -7.85 -8.41
Similarity Score:
57.71%
Best Match:
CHEMBL226113
Prediction Result:
N/A

OPRM_HUMAN

Docking Scores:
-8.24 -7.20 -7.63
Similarity Score:
64.11%
Best Match:
CHEMBL3892859
Prediction Result:
Active59.23%

OPRX_HUMAN

Docking Scores:
-7.41 -7.16 -7.36
Similarity Score:
64.02%
Best Match:
CHEMBL3326229
Prediction Result:
N/A

PTAFR_HUMAN

Docking Scores:
-8.20 -7.24 -8.47
Similarity Score:
43.70%
Best Match:
CHEMBL319384
Prediction Result:
Active76.78%

TAAR1_HUMAN

Docking Scores:
-9.33 -9.32 -9.25
Similarity Score:
44.29%
Best Match:
CHEMBL1872433
Prediction Result:
Inactive54.03%

TSHR_HUMAN

Docking Scores:
-8.08 -9.91 -7.15
Similarity Score:
33.47%
Best Match:
CHEMBL1589735
Prediction Result:
Inactive93.68%

V1AR_HUMAN

Docking Scores:
-7.94 -7.31 -7.92
Similarity Score:
44.11%
Best Match:
CHEMBL250974
Prediction Result:
Inactive77.24%

VIPR1_HUMAN

Docking Scores:
-7.52 -8.06 -8.72
Similarity Score:
33.72%
Best Match:
CHEMBL3884667
Prediction Result:
N/A