cocaine #42 Output Download CSV

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

Docking Scores:
-7.44 -7.47 -7.76
Similarity Score:
60.33%
Best Match:
CHEMBL56564
Prediction Result:
Active69.57%

5HT1B_HUMAN

Docking Scores:
-8.15 -7.64 -8.47
Similarity Score:
46.51%
Best Match:
CHEMBL79693
Prediction Result:
N/A

5HT1D_HUMAN

Docking Scores:
-8.17 -8.01 -6.77
Similarity Score:
46.51%
Best Match:
CHEMBL79693
Prediction Result:
N/A

5HT1E_HUMAN

Docking Scores:
-7.79 -7.66 -7.80
Similarity Score:
26.55%
Best Match:
CHEMBL103479
Prediction Result:
Active54.51%

5HT1F_HUMAN

Docking Scores:
-7.89 -7.96 -8.05
Similarity Score:
29.76%
Best Match:
CHEMBL320198
Prediction Result:
Inactive55.54%

5HT2A_HUMAN

Docking Scores:
-8.83 -7.99
Similarity Score:
65.62%
Best Match:
CHEMBL1201203
Prediction Result:
N/A

5HT2B_HUMAN

Docking Scores:
-7.50 -7.80 -7.63
Similarity Score:
65.62%
Best Match:
CHEMBL1201203
Prediction Result:
N/A

5HT2C_HUMAN

Docking Scores:
-7.71 -8.79
Similarity Score:
65.62%
Best Match:
CHEMBL1201203
Prediction Result:
N/A

5HT4R_HUMAN

Docking Scores:
-8.43 -8.46 -7.63
Similarity Score:
60.33%
Best Match:
CHEMBL56564
Prediction Result:
Active78.10%

5HT5A_HUMAN

Docking Scores:
-8.39 -7.23 -7.40
Similarity Score:
38.28%
Best Match:
CHEMBL161507
Prediction Result:
Inactive60.28%

5HT6R_HUMAN

Docking Scores:
-7.87 -7.12 -7.87
Similarity Score:
55.66%
Best Match:
CHEMBL1626
Prediction Result:
Active95.00%

5HT7R_HUMAN

Docking Scores:
-7.89 -8.00 -7.86
Similarity Score:
44.00%
Best Match:
CHEMBL203400
Prediction Result:
Active63.46%

AA1R_HUMAN

Docking Scores:
-7.32 -8.05 -7.06
Similarity Score:
38.04%
Best Match:
CHEMBL3350613
Prediction Result:
N/A

AA2AR_HUMAN

Docking Scores:
-7.11 -7.29 -7.85
Similarity Score:
38.04%
Best Match:
CHEMBL3350613
Prediction Result:
N/A

AA2BR_HUMAN

Docking Scores:
-7.88 -7.95 -7.76
Similarity Score:
34.91%
Best Match:
CHEMBL384257
Prediction Result:
Inactive63.34%

AA3R_HUMAN

Docking Scores:
-8.40 -7.10 -7.83
Similarity Score:
69.90%
Best Match:
CHEMBL2107804
Prediction Result:
Active97.40%

ACM1_HUMAN

Docking Scores:
-9.06 -3.12
Similarity Score:
71.29%
Best Match:
CHEMBL85190
Prediction Result:
N/A

ACM2_HUMAN

Docking Scores:
-8.23 -7.89 -9.00
Similarity Score:
71.29%
Best Match:
CHEMBL85190
Prediction Result:
Active93.60%

ACM3_HUMAN

Docking Scores:
-8.09 -8.55 -8.83
Similarity Score:
65.62%
Best Match:
CHEMBL1201203
Prediction Result:
Active74.82%

ACM4_HUMAN

Docking Scores:
-8.90 -6.92
Similarity Score:
71.29%
Best Match:
CHEMBL85190
Prediction Result:
N/A

ACM5_HUMAN

Docking Scores:
-8.80 -9.01 -8.17
Similarity Score:
65.62%
Best Match:
CHEMBL1201203
Prediction Result:
Active79.92%

ACTHR_HUMAN

Docking Scores:
-9.74 -8.52 -7.86
Similarity Score:
N/A
Best Match:
N/A
Prediction Result:
N/A

ADA1D_HUMAN

Docking Scores:
-7.95 -8.12 -7.50
Similarity Score:
65.62%
Best Match:
CHEMBL1201203
Prediction Result:
Active86.49%

ADA2A_HUMAN

Docking Scores:
-5.23 -7.05 -4.80
Similarity Score:
65.62%
Best Match:
CHEMBL1201203
Prediction Result:
Active78.51%

ADA2B_HUMAN

Docking Scores:
-9.17 -9.10 -8.51
Similarity Score:
65.62%
Best Match:
CHEMBL1201203
Prediction Result:
Active83.25%

ADA2C_HUMAN

Docking Scores:
-4.36 -4.12 -2.84
Similarity Score:
65.62%
Best Match:
CHEMBL1201203
Prediction Result:
Inactive99.99%

ADRB1_HUMAN

Docking Scores:
-7.97 -8.01 -7.71
Similarity Score:
45.90%
Best Match:
CHEMBL1085395
Prediction Result:
Active72.74%

ADRB2_HUMAN

Docking Scores:
-7.53 -8.43 -8.06
Similarity Score:
49.60%
Best Match:
CHEMBL1459608
Prediction Result:
N/A

ADRB3_HUMAN

Docking Scores:
-7.86 -8.08 -7.95
Similarity Score:
49.23%
Best Match:
CHEMBL3746885
Prediction Result:
N/A

AGTR2_HUMAN

Docking Scores:
-8.02 -7.85 -7.82
Similarity Score:
32.61%
Best Match:
CHEMBL376286
Prediction Result:
N/A

BKRB2_HUMAN

Docking Scores:
-8.37 -8.78 -8.65
Similarity Score:
35.66%
Best Match:
CHEMBL406291
Prediction Result:
Inactive70.34%

CALCR_HUMAN

Docking Scores:
-6.93 -8.05 -7.91
Similarity Score:
32.95%
Best Match:
CHEMBL2369895
Prediction Result:
Inactive98.02%

CCKAR_HUMAN

Docking Scores:
-7.68 -7.49 -8.91
Similarity Score:
36.96%
Best Match:
CHEMBL206025
Prediction Result:
Inactive94.93%

CCR1_HUMAN

Docking Scores:
-7.39 -7.38 -7.23
Similarity Score:
47.24%
Best Match:
CHEMBL344324
Prediction Result:
Inactive92.88%

CCR2_HUMAN

Docking Scores:
-7.43 -7.51 -7.57
Similarity Score:
50.43%
Best Match:
CHEMBL1683053
Prediction Result:
Inactive80.27%

CCR4_HUMAN

Docking Scores:
-7.52 -7.11 -7.27
Similarity Score:
31.69%
Best Match:
CHEMBL1907216
Prediction Result:
Inactive71.60%

CCR5_HUMAN

Docking Scores:
-7.51 -8.32 -7.37
Similarity Score:
54.76%
Best Match:
CHEMBL101333
Prediction Result:
Inactive83.03%

CLTR1_HUMAN

Docking Scores:
-7.32 -7.66 -8.39
Similarity Score:
32.96%
Best Match:
CHEMBL3342957
Prediction Result:
Inactive96.32%

CNR1_HUMAN

Docking Scores:
-7.50 -8.53 -9.07
Similarity Score:
42.86%
Best Match:
CHEMBL1765160
Prediction Result:
N/A

CNR2_HUMAN

Docking Scores:
-8.56 -9.07
Similarity Score:
50.00%
Best Match:
CHEMBL1765285
Prediction Result:
N/A

CXCR1_HUMAN

Docking Scores:
-7.26
Similarity Score:
25.37%
Best Match:
CHEMBL556862
Prediction Result:
N/A

CXCR2_HUMAN

Docking Scores:
-7.85 -6.60 -6.90
Similarity Score:
33.33%
Best Match:
CHEMBL3645131
Prediction Result:
Inactive68.90%

CXCR3_HUMAN

Docking Scores:
-7.84 -7.62 -7.76
Similarity Score:
38.13%
Best Match:
CHEMBL458422
Prediction Result:
Inactive96.83%

CXCR4_HUMAN

Docking Scores:
-7.47 -6.83 -7.11
Similarity Score:
33.84%
Best Match:
CHEMBL3923006
Prediction Result:
N/A

DRD1_HUMAN

Docking Scores:
-7.74 -7.69 -7.98
Similarity Score:
56.60%
Best Match:
CHEMBL305660
Prediction Result:
Active69.30%

DRD2_HUMAN

Docking Scores:
-6.93
Similarity Score:
62.50%
Best Match:
CHEMBL3318839
Prediction Result:
N/A

DRD3_HUMAN

Docking Scores:
-7.82
Similarity Score:
65.62%
Best Match:
CHEMBL1201203
Prediction Result:
N/A

DRD4_HUMAN

Docking Scores:
-8.34 -8.54
Similarity Score:
62.50%
Best Match:
CHEMBL3318835
Prediction Result:
N/A

DRD5_HUMAN

Docking Scores:
-8.04 -9.05 -7.75
Similarity Score:
42.86%
Best Match:
CHEMBL54
Prediction Result:
Inactive53.01%

EDNRA_HUMAN

Docking Scores:
-6.99 -7.02 -7.17
Similarity Score:
37.31%
Best Match:
CHEMBL315927
Prediction Result:
Inactive56.80%

GABR1_HUMAN

Docking Scores:
-1.64 -3.99 -0.10
Similarity Score:
21.02%
Best Match:
CHEMBL2391908
Prediction Result:
Inactive99.99%

GASR_HUMAN

Docking Scores:
-7.68 -7.43 -5.95
Similarity Score:
42.48%
Best Match:
CHEMBL103276
Prediction Result:
Inactive76.23%

GRM1_HUMAN

Docking Scores:
-8.60 -8.12 -7.18
Similarity Score:
34.62%
Best Match:
CHEMBL92162
Prediction Result:
Inactive69.20%

GRM2_HUMAN

Docking Scores:
-4.80 -6.57 -5.31
Similarity Score:
57.01%
Best Match:
CHEMBL3955458
Prediction Result:
Active80.83%

GRM3_HUMAN

Docking Scores:
-5.97 -7.15 -7.37
Similarity Score:
57.01%
Best Match:
CHEMBL3955458
Prediction Result:
Inactive51.25%

GRM4_HUMAN

Docking Scores:
-2.23 -2.97 -3.00
Similarity Score:
28.12%
Best Match:
CHEMBL578988
Prediction Result:
Inactive99.99%

GRM5_HUMAN

Docking Scores:
-9.34 -5.37 -5.57
Similarity Score:
42.50%
Best Match:
CHEMBL3926962
Prediction Result:
N/A

GRM6_HUMAN

Docking Scores:
-7.32 -7.47 -7.89
Similarity Score:
38.32%
Best Match:
CHEMBL275079
Prediction Result:
Inactive98.36%

GRM7_HUMAN

Docking Scores:
-5.52 -5.32 -6.04
Similarity Score:
30.37%
Best Match:
CHEMBL432038
Prediction Result:
Inactive99.98%

GRM8_HUMAN

Docking Scores:
-2.65 -2.96 -2.27
Similarity Score:
31.11%
Best Match:
CHEMBL95868
Prediction Result:
Inactive99.99%

HRH1_HUMAN

Docking Scores:
-6.49
Similarity Score:
65.62%
Best Match:
CHEMBL1201203
Prediction Result:
N/A

HRH2_HUMAN

Docking Scores:
-9.58 -7.76 -7.90
Similarity Score:
55.66%
Best Match:
CHEMBL1626
Prediction Result:
Active98.93%

HRH3_HUMAN

Docking Scores:
-7.56 -7.83 -7.57
Similarity Score:
55.28%
Best Match:
CHEMBL514217
Prediction Result:
Active87.03%

HRH4_HUMAN

Docking Scores:
-7.63 -7.52 -7.91
Similarity Score:
53.23%
Best Match:
CHEMBL4083336
Prediction Result:
Active86.03%

MC3R_HUMAN

Docking Scores:
-7.99 -7.28 -7.25
Similarity Score:
47.83%
Best Match:
CHEMBL379879
Prediction Result:
Inactive52.05%

MC4R_HUMAN

Docking Scores:
-6.47 -6.41 -6.14
Similarity Score:
47.83%
Best Match:
CHEMBL379879
Prediction Result:
Inactive70.69%

MC5R_HUMAN

Docking Scores:
-5.91 -6.89 -4.77
Similarity Score:
37.21%
Best Match:
CHEMBL1209788
Prediction Result:
Inactive75.82%

MSHR_HUMAN

Docking Scores:
-7.89 -7.83 -7.53
Similarity Score:
47.83%
Best Match:
CHEMBL379879
Prediction Result:
Inactive61.56%

NK1R_HUMAN

Docking Scores:
-7.97 -8.10 -6.99
Similarity Score:
54.84%
Best Match:
CHEMBL2115009
Prediction Result:
N/A

NK2R_HUMAN

Docking Scores:
-7.39 -7.53 -7.37
Similarity Score:
56.60%
Best Match:
CHEMBL305660
Prediction Result:
Inactive95.19%

NPBW1_HUMAN

Docking Scores:
-7.22 -7.36 -7.60
Similarity Score:
29.89%
Best Match:
CHEMBL1977658
Prediction Result:
Inactive94.60%

NPFF1_HUMAN

Docking Scores:
-7.11 -6.93 -6.94
Similarity Score:
33.10%
Best Match:
CHEMBL1672379
Prediction Result:
Inactive91.36%

NPSR1_HUMAN

Docking Scores:
-7.44 -8.98 -7.89
Similarity Score:
31.58%
Best Match:
CHEMBL230333
Prediction Result:
Inactive72.92%

NPY1R_HUMAN

Docking Scores:
-8.57 -8.96 -7.42
Similarity Score:
42.14%
Best Match:
CHEMBL1223991
Prediction Result:
N/A

NPY2R_HUMAN

Docking Scores:
-7.39 -7.24 -7.46
Similarity Score:
38.69%
Best Match:
CHEMBL2030150
Prediction Result:
Inactive95.90%

NPY4R_HUMAN

Docking Scores:
-7.51 -7.55 -7.76
Similarity Score:
33.99%
Best Match:
CHEMBL2440119
Prediction Result:
Active55.81%

NPY5R_HUMAN

Docking Scores:
-7.28 -7.20 -7.12
Similarity Score:
46.32%
Best Match:
CHEMBL522913
Prediction Result:
Inactive86.93%

OPRD_HUMAN

Docking Scores:
-7.28 -6.28 -6.71
Similarity Score:
46.10%
Best Match:
CHEMBL575647
Prediction Result:
N/A

OPRK_HUMAN

Docking Scores:
-8.14 -8.59 -7.37
Similarity Score:
52.00%
Best Match:
CHEMBL179350
Prediction Result:
N/A

OPRM_HUMAN

Docking Scores:
-8.18 -6.50 -7.25
Similarity Score:
53.15%
Best Match:
CHEMBL255768
Prediction Result:
Inactive56.35%

OPRX_HUMAN

Docking Scores:
-7.08 -6.83 -7.60
Similarity Score:
52.27%
Best Match:
CHEMBL1783822
Prediction Result:
N/A

PTAFR_HUMAN

Docking Scores:
-7.27 -7.19 -7.28
Similarity Score:
40.62%
Best Match:
CHEMBL2304167
Prediction Result:
Active54.25%

TAAR1_HUMAN

Docking Scores:
-8.48 -8.31 -8.17
Similarity Score:
46.67%
Best Match:
CHEMBL1305977
Prediction Result:
Active61.34%

TSHR_HUMAN

Docking Scores:
-8.39 -8.67 -8.50
Similarity Score:
29.44%
Best Match:
CHEMBL3897841
Prediction Result:
Inactive97.30%

V1AR_HUMAN

Docking Scores:
-7.05 -7.25 -7.21
Similarity Score:
41.22%
Best Match:
CHEMBL3416867
Prediction Result:
Inactive88.71%

VIPR1_HUMAN

Docking Scores:
-7.16 -7.44 -7.27
Similarity Score:
30.05%
Best Match:
CHEMBL3884667
Prediction Result:
N/A