Job final #324 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

L: Heroin
5HT1A_HUMAN

Docking Scores:
-8.68 -7.64 -8.26
Similarity Score:
47.55%
Best Match:
CHEMBL49838
Prediction Result:
Inactive52.43%

L: Cocaine
5HT1A_HUMAN

Docking Scores:
-8.49 -7.37 -7.38
Similarity Score:
60.33%
Best Match:
CHEMBL56564
Prediction Result:
Active62.30%

L: Heroin
5HT1B_HUMAN

Docking Scores:
-8.84 -9.16 -9.67
Similarity Score:
46.63%
Best Match:
CHEMBL29951
Prediction Result:
N/A

L: Cocaine
5HT1B_HUMAN

Docking Scores:
-8.32 -8.28 -8.12
Similarity Score:
46.51%
Best Match:
CHEMBL79693
Prediction Result:
N/A

L: Heroin
5HT1D_HUMAN

Docking Scores:
-9.15 -7.59 -7.55
Similarity Score:
46.63%
Best Match:
CHEMBL29951
Prediction Result:
N/A

L: Cocaine
5HT1D_HUMAN

Docking Scores:
-8.02 -7.73 -7.02
Similarity Score:
46.51%
Best Match:
CHEMBL79693
Prediction Result:
N/A

L: Heroin
5HT1E_HUMAN

Docking Scores:
-8.24 -7.61 -8.21
Similarity Score:
26.49%
Best Match:
CHEMBL343755
Prediction Result:
Inactive71.03%

L: Cocaine
5HT1E_HUMAN

Docking Scores:
-7.67 -7.90 -8.24
Similarity Score:
26.55%
Best Match:
CHEMBL103479
Prediction Result:
Active53.04%

L: Heroin
5HT1F_HUMAN

Docking Scores:
-9.28 -9.38 -9.60
Similarity Score:
26.47%
Best Match:
CHEMBL497963
Prediction Result:
Inactive71.38%

L: Cocaine
5HT1F_HUMAN

Docking Scores:
-8.39 -8.42 -8.62
Similarity Score:
29.76%
Best Match:
CHEMBL320198
Prediction Result:
Inactive57.25%

L: Heroin
5HT2A_HUMAN

Docking Scores:
-9.45 -7.40
Similarity Score:
47.74%
Best Match:
CHEMBL3695438
Prediction Result:
N/A

L: Cocaine
5HT2A_HUMAN

Docking Scores:
-8.29 -8.35
Similarity Score:
65.62%
Best Match:
CHEMBL1201203
Prediction Result:
N/A

L: Heroin
5HT2B_HUMAN

Docking Scores:
-8.63 -8.94 -9.24
Similarity Score:
45.71%
Best Match:
CHEMBL445106
Prediction Result:
N/A

L: Cocaine
5HT2B_HUMAN

Docking Scores:
-7.60 -8.08 -8.09
Similarity Score:
65.62%
Best Match:
CHEMBL1201203
Prediction Result:
N/A

L: Heroin
5HT2C_HUMAN

Docking Scores:
-8.91 -9.12
Similarity Score:
45.71%
Best Match:
CHEMBL445106
Prediction Result:
N/A

L: Cocaine
5HT2C_HUMAN

Docking Scores:
-7.93 -8.85
Similarity Score:
65.62%
Best Match:
CHEMBL1201203
Prediction Result:
N/A

L: Heroin
5HT4R_HUMAN

Docking Scores:
-9.55 -9.30 -7.46
Similarity Score:
36.73%
Best Match:
CHEMBL571799
Prediction Result:
Inactive59.81%

L: Cocaine
5HT4R_HUMAN

Docking Scores:
-8.37 -8.39 -7.43
Similarity Score:
60.33%
Best Match:
CHEMBL56564
Prediction Result:
Active75.18%

L: Heroin
5HT5A_HUMAN

Docking Scores:
-9.92 -7.50 -8.25
Similarity Score:
41.05%
Best Match:
CHEMBL278751
Prediction Result:
Inactive74.19%

L: Cocaine
5HT5A_HUMAN

Docking Scores:
-8.11 -6.45 -6.95
Similarity Score:
38.28%
Best Match:
CHEMBL161507
Prediction Result:
Inactive55.30%

L: Heroin
5HT6R_HUMAN

Docking Scores:
-8.27 -7.96 -7.77
Similarity Score:
43.36%
Best Match:
CHEMBL429023
Prediction Result:
Active63.09%

L: Cocaine
5HT6R_HUMAN

Docking Scores:
-7.38 -7.56 -8.23
Similarity Score:
55.66%
Best Match:
CHEMBL1626
Prediction Result:
Active91.64%

L: Heroin
5HT7R_HUMAN

Docking Scores:
-8.86 -9.18 -9.31
Similarity Score:
42.06%
Best Match:
CHEMBL3581246
Prediction Result:
Active74.24%

L: Cocaine
5HT7R_HUMAN

Docking Scores:
-7.70 -7.68 -7.67
Similarity Score:
44.00%
Best Match:
CHEMBL203400
Prediction Result:
Active57.55%

L: Heroin
AA1R_HUMAN

Docking Scores:
-8.28 -9.04 -7.24
Similarity Score:
29.48%
Best Match:
CHEMBL1090687
Prediction Result:
N/A

L: Cocaine
AA1R_HUMAN

Docking Scores:
-7.76 -8.03 -7.78
Similarity Score:
38.04%
Best Match:
CHEMBL3350613
Prediction Result:
N/A

L: Heroin
AA2AR_HUMAN

Docking Scores:
-7.48 -7.87 -9.48
Similarity Score:
35.71%
Best Match:
CHEMBL559023
Prediction Result:
N/A

L: Cocaine
AA2AR_HUMAN

Docking Scores:
-7.75 -7.56 -8.15
Similarity Score:
38.04%
Best Match:
CHEMBL3350613
Prediction Result:
N/A

L: Heroin
AA2BR_HUMAN

Docking Scores:
-8.90 -8.88 -9.01
Similarity Score:
30.71%
Best Match:
CHEMBL589251
Prediction Result:
Inactive53.78%

L: Cocaine
AA2BR_HUMAN

Docking Scores:
-7.49 -7.98 -7.63
Similarity Score:
34.91%
Best Match:
CHEMBL384257
Prediction Result:
Inactive62.04%

L: Heroin
AA3R_HUMAN

Docking Scores:
-4.56 -4.37 -8.41
Similarity Score:
55.86%
Best Match:
CHEMBL80
Prediction Result:
Active62.29%

L: Cocaine
AA3R_HUMAN

Docking Scores:
-7.84 -6.56 -8.35
Similarity Score:
69.90%
Best Match:
CHEMBL2107804
Prediction Result:
Active95.77%

L: Heroin
ACM1_HUMAN

Docking Scores:
-9.46 4.59
Similarity Score:
43.05%
Best Match:
CHEMBL2312344
Prediction Result:
N/A

L: Cocaine
ACM1_HUMAN

Docking Scores:
-9.21 -3.38
Similarity Score:
71.29%
Best Match:
CHEMBL85190
Prediction Result:
N/A

L: Heroin
ACM2_HUMAN

Docking Scores:
-9.90 -8.69 -10.25
Similarity Score:
40.51%
Best Match:
CHEMBL343236
Prediction Result:
Inactive52.32%

L: Cocaine
ACM2_HUMAN

Docking Scores:
-8.02 -7.92 -9.03
Similarity Score:
71.29%
Best Match:
CHEMBL85190
Prediction Result:
Active90.74%

L: Heroin
ACM3_HUMAN

Docking Scores:
-8.90 -9.54 -8.35
Similarity Score:
40.77%
Best Match:
CHEMBL1921911
Prediction Result:
Active59.88%

L: Cocaine
ACM3_HUMAN

Docking Scores:
-7.96 -8.65 -9.29
Similarity Score:
65.62%
Best Match:
CHEMBL1201203
Prediction Result:
Active75.43%

L: Heroin
ACM4_HUMAN

Docking Scores:
-7.77 -7.29
Similarity Score:
38.46%
Best Match:
CHEMBL1346
Prediction Result:
N/A

L: Cocaine
ACM4_HUMAN

Docking Scores:
-9.22 -7.78
Similarity Score:
71.29%
Best Match:
CHEMBL85190
Prediction Result:
N/A

L: Heroin
ACM5_HUMAN

Docking Scores:
-9.45 -9.39 -8.25
Similarity Score:
42.67%
Best Match:
CHEMBL2312366
Prediction Result:
Active62.49%

L: Cocaine
ACM5_HUMAN

Docking Scores:
-8.78 -8.83 -8.96
Similarity Score:
65.62%
Best Match:
CHEMBL1201203
Prediction Result:
Active78.76%

L: Heroin
ACTHR_HUMAN

Docking Scores:
-8.35 -8.52 -8.56
Similarity Score:
N/A
Best Match:
N/A
Prediction Result:
N/A

L: Cocaine
ACTHR_HUMAN

Docking Scores:
-9.28 -8.70 -7.95
Similarity Score:
N/A
Best Match:
N/A
Prediction Result:
N/A

L: Heroin
ADA1D_HUMAN

Docking Scores:
-8.58 -8.86 -9.02
Similarity Score:
40.58%
Best Match:
CHEMBL383938
Prediction Result:
Inactive64.77%

L: Cocaine
ADA1D_HUMAN

Docking Scores:
-7.67 -8.60 -7.62
Similarity Score:
65.62%
Best Match:
CHEMBL1201203
Prediction Result:
Active83.09%

L: Heroin
ADA2A_HUMAN

Docking Scores:
-0.96 -1.81 2.23
Similarity Score:
42.36%
Best Match:
CHEMBL50588
Prediction Result:
Inactive99.99%

L: Cocaine
ADA2A_HUMAN

Docking Scores:
-6.15 -6.98 -5.71
Similarity Score:
65.62%
Best Match:
CHEMBL1201203
Prediction Result:
Active91.05%

L: Heroin
ADA2B_HUMAN

Docking Scores:
-7.52 -6.14 -4.74
Similarity Score:
36.32%
Best Match:
CHEMBL268258
Prediction Result:
Active55.11%

L: Cocaine
ADA2B_HUMAN

Docking Scores:
-9.09 -8.76 -8.67
Similarity Score:
65.62%
Best Match:
CHEMBL1201203
Prediction Result:
Active84.06%

L: Heroin
ADA2C_HUMAN

Docking Scores:
5.36 5.10 4.53
Similarity Score:
42.36%
Best Match:
CHEMBL50588
Prediction Result:
Inactive99.99%

L: Cocaine
ADA2C_HUMAN

Docking Scores:
-4.16 -3.94 -2.84
Similarity Score:
65.62%
Best Match:
CHEMBL1201203
Prediction Result:
Inactive99.99%

L: Heroin
ADRB1_HUMAN

Docking Scores:
-9.09 -8.03 -8.60
Similarity Score:
38.46%
Best Match:
CHEMBL1346
Prediction Result:
Inactive60.94%

L: Cocaine
ADRB1_HUMAN

Docking Scores:
-8.53 -8.05 -8.49
Similarity Score:
45.90%
Best Match:
CHEMBL1085395
Prediction Result:
Active54.92%

L: Heroin
ADRB2_HUMAN

Docking Scores:
-7.87 -8.85 -9.49
Similarity Score:
40.36%
Best Match:
CHEMBL1714856
Prediction Result:
N/A

L: Cocaine
ADRB2_HUMAN

Docking Scores:
-7.61 -8.27 -8.16
Similarity Score:
49.60%
Best Match:
CHEMBL1459608
Prediction Result:
N/A

L: Heroin
ADRB3_HUMAN

Docking Scores:
-9.02 -8.21 -8.70
Similarity Score:
41.67%
Best Match:
CHEMBL59765
Prediction Result:
N/A

L: Cocaine
ADRB3_HUMAN

Docking Scores:
-8.02 -7.77 -7.74
Similarity Score:
49.23%
Best Match:
CHEMBL3746885
Prediction Result:
N/A

L: Heroin
AGTR2_HUMAN

Docking Scores:
-8.46 -8.44 -8.46
Similarity Score:
41.15%
Best Match:
CHEMBL154057
Prediction Result:
N/A

L: Cocaine
AGTR2_HUMAN

Docking Scores:
-7.97 -8.11 -7.59
Similarity Score:
32.61%
Best Match:
CHEMBL376286
Prediction Result:
N/A

L: Heroin
BKRB2_HUMAN

Docking Scores:
-8.28 -10.89 -9.28
Similarity Score:
28.09%
Best Match:
CHEMBL2105864
Prediction Result:
Inactive70.52%

L: Cocaine
BKRB2_HUMAN

Docking Scores:
-7.77 -9.72 -8.49
Similarity Score:
35.66%
Best Match:
CHEMBL406291
Prediction Result:
Inactive66.43%

L: Heroin
CALCR_HUMAN

Docking Scores:
-7.87 -8.23 -8.47
Similarity Score:
27.31%
Best Match:
CHEMBL2369895
Prediction Result:
Inactive98.39%

L: Cocaine
CALCR_HUMAN

Docking Scores:
-8.01 -8.02 -7.92
Similarity Score:
32.95%
Best Match:
CHEMBL2369895
Prediction Result:
Inactive98.28%

L: Heroin
CCKAR_HUMAN

Docking Scores:
-8.85 -8.20 -8.52
Similarity Score:
28.89%
Best Match:
CHEMBL249151
Prediction Result:
Inactive92.59%

L: Cocaine
CCKAR_HUMAN

Docking Scores:
-8.15 -8.45 -9.19
Similarity Score:
36.96%
Best Match:
CHEMBL206025
Prediction Result:
Inactive84.62%

L: Heroin
CCR1_HUMAN

Docking Scores:
-8.95 -7.90 -7.87
Similarity Score:
37.72%
Best Match:
CHEMBL2391937
Prediction Result:
Inactive79.92%

L: Cocaine
CCR1_HUMAN

Docking Scores:
-7.80 -6.77 -6.94
Similarity Score:
47.24%
Best Match:
CHEMBL344324
Prediction Result:
Inactive93.85%

L: Heroin
CCR2_HUMAN

Docking Scores:
-8.74 -8.66 -7.96
Similarity Score:
39.00%
Best Match:
CHEMBL3589950
Prediction Result:
Inactive54.02%

L: Cocaine
CCR2_HUMAN

Docking Scores:
-7.48 -7.46 -7.06
Similarity Score:
50.43%
Best Match:
CHEMBL1683053
Prediction Result:
Inactive84.84%

L: Heroin
CCR4_HUMAN

Docking Scores:
-7.33 -8.46 -8.96
Similarity Score:
29.15%
Best Match:
CHEMBL1907216
Prediction Result:
Inactive69.74%

L: Cocaine
CCR4_HUMAN

Docking Scores:
-7.79 -7.32 -7.49
Similarity Score:
31.69%
Best Match:
CHEMBL1907216
Prediction Result:
Inactive65.84%

L: Heroin
CCR5_HUMAN

Docking Scores:
-8.55 -8.49 -7.93
Similarity Score:
45.36%
Best Match:
CHEMBL3219777
Prediction Result:
Inactive76.36%

L: Cocaine
CCR5_HUMAN

Docking Scores:
-7.49 -8.10 -7.43
Similarity Score:
54.76%
Best Match:
CHEMBL101333
Prediction Result:
Inactive88.30%

L: Heroin
CLTR1_HUMAN

Docking Scores:
-8.58 -8.85 -10.18
Similarity Score:
34.26%
Best Match:
CHEMBL1214532
Prediction Result:
Inactive77.56%

L: Cocaine
CLTR1_HUMAN

Docking Scores:
-7.23 -7.74 -8.62
Similarity Score:
32.96%
Best Match:
CHEMBL3342957
Prediction Result:
Inactive96.83%

L: Heroin
CNR1_HUMAN

Docking Scores:
-7.79 -9.66 -9.84
Similarity Score:
52.34%
Best Match:
CHEMBL1668516
Prediction Result:
N/A

L: Cocaine
CNR1_HUMAN

Docking Scores:
-6.60 -8.50 -8.29
Similarity Score:
42.86%
Best Match:
CHEMBL1765160
Prediction Result:
N/A

L: Heroin
CNR2_HUMAN

Docking Scores:
-10.27 -10.13
Similarity Score:
53.23%
Best Match:
CHEMBL2348471
Prediction Result:
N/A

L: Cocaine
CNR2_HUMAN

Docking Scores:
-8.66 -8.53
Similarity Score:
50.00%
Best Match:
CHEMBL1765285
Prediction Result:
N/A

L: Heroin
CXCR1_HUMAN

Docking Scores:
-8.34
Similarity Score:
28.73%
Best Match:
CHEMBL490688
Prediction Result:
N/A

L: Cocaine
CXCR1_HUMAN

Docking Scores:
-7.33
Similarity Score:
25.37%
Best Match:
CHEMBL556862
Prediction Result:
N/A

L: Heroin
CXCR2_HUMAN

Docking Scores:
-8.27 -8.06 -7.83
Similarity Score:
32.59%
Best Match:
CHEMBL3645131
Prediction Result:
Inactive68.27%

L: Cocaine
CXCR2_HUMAN

Docking Scores:
-7.76 -6.78 -6.73
Similarity Score:
33.33%
Best Match:
CHEMBL3645131
Prediction Result:
Inactive70.73%

L: Heroin
CXCR3_HUMAN

Docking Scores:
-8.86 -8.59 -8.51
Similarity Score:
43.38%
Best Match:
CHEMBL3697086
Prediction Result:
Inactive85.32%

L: Cocaine
CXCR3_HUMAN

Docking Scores:
-8.08 -8.00 -7.81
Similarity Score:
38.13%
Best Match:
CHEMBL458422
Prediction Result:
Inactive95.63%

L: Heroin
CXCR4_HUMAN

Docking Scores:
-8.66 -7.45 -7.75
Similarity Score:
31.98%
Best Match:
CHEMBL2029611
Prediction Result:
N/A

L: Cocaine
CXCR4_HUMAN

Docking Scores:
-7.42 -7.12 -7.46
Similarity Score:
33.84%
Best Match:
CHEMBL3923006
Prediction Result:
N/A

L: Heroin
DRD1_HUMAN

Docking Scores:
-7.79 -8.69 -8.94
Similarity Score:
45.89%
Best Match:
CHEMBL3781035
Prediction Result:
Active71.93%

L: Cocaine
DRD1_HUMAN

Docking Scores:
-8.10 -7.97 -7.88
Similarity Score:
56.60%
Best Match:
CHEMBL305660
Prediction Result:
Active63.31%

L: Heroin
DRD2_HUMAN

Docking Scores:
-8.04
Similarity Score:
50.78%
Best Match:
CHEMBL170976
Prediction Result:
N/A

L: Cocaine
DRD2_HUMAN

Docking Scores:
-7.74
Similarity Score:
62.50%
Best Match:
CHEMBL3318839
Prediction Result:
N/A

L: Heroin
DRD3_HUMAN

Docking Scores:
-8.45
Similarity Score:
50.78%
Best Match:
CHEMBL170976
Prediction Result:
N/A

L: Cocaine
DRD3_HUMAN

Docking Scores:
-7.30
Similarity Score:
65.62%
Best Match:
CHEMBL1201203
Prediction Result:
N/A

L: Heroin
DRD4_HUMAN

Docking Scores:
-8.51 -8.90
Similarity Score:
44.81%
Best Match:
CHEMBL132261
Prediction Result:
N/A

L: Cocaine
DRD4_HUMAN

Docking Scores:
-8.09 -8.21
Similarity Score:
62.50%
Best Match:
CHEMBL3318835
Prediction Result:
N/A

L: Heroin
DRD5_HUMAN

Docking Scores:
-7.88 -7.12 -7.53
Similarity Score:
42.80%
Best Match:
CHEMBL3577346
Prediction Result:
Inactive66.68%

L: Cocaine
DRD5_HUMAN

Docking Scores:
-8.07 -9.05 -7.29
Similarity Score:
42.86%
Best Match:
CHEMBL54
Prediction Result:
Inactive65.00%

L: Heroin
EDNRA_HUMAN

Docking Scores:
-8.25 -8.01 -8.04
Similarity Score:
42.92%
Best Match:
CHEMBL323951
Prediction Result:
Active57.57%

L: Cocaine
EDNRA_HUMAN

Docking Scores:
-7.20 -7.17 -6.86
Similarity Score:
37.31%
Best Match:
CHEMBL315927
Prediction Result:
Inactive54.20%

L: Heroin
GABR1_HUMAN

Docking Scores:
6.02 4.28 12.05
Similarity Score:
17.34%
Best Match:
CHEMBL2391908
Prediction Result:
Inactive99.99%

L: Cocaine
GABR1_HUMAN

Docking Scores:
-2.80 -3.59 0.61
Similarity Score:
21.02%
Best Match:
CHEMBL2391908
Prediction Result:
Inactive99.99%

L: Heroin
GASR_HUMAN

Docking Scores:
-8.68 -8.27 -6.94
Similarity Score:
53.30%
Best Match:
CHEMBL452991
Prediction Result:
Inactive51.99%

L: Cocaine
GASR_HUMAN

Docking Scores:
-7.64 -8.19 -5.65
Similarity Score:
42.48%
Best Match:
CHEMBL103276
Prediction Result:
Inactive73.28%

L: Heroin
GRM1_HUMAN

Docking Scores:
-7.55 -6.33 -2.70
Similarity Score:
33.85%
Best Match:
CHEMBL2111944
Prediction Result:
Inactive99.99%

L: Cocaine
GRM1_HUMAN

Docking Scores:
-7.56 -7.62 -7.41
Similarity Score:
34.62%
Best Match:
CHEMBL92162
Prediction Result:
Inactive68.63%

L: Heroin
GRM2_HUMAN

Docking Scores:
2.71 3.56 4.04
Similarity Score:
31.76%
Best Match:
CHEMBL287831
Prediction Result:
Inactive99.99%

L: Cocaine
GRM2_HUMAN

Docking Scores:
-5.13 -5.15 -4.40
Similarity Score:
57.01%
Best Match:
CHEMBL3955458
Prediction Result:
Active78.11%

L: Heroin
GRM3_HUMAN

Docking Scores:
0.02 -2.38 -1.34
Similarity Score:
30.20%
Best Match:
CHEMBL341457
Prediction Result:
Inactive99.99%

L: Cocaine
GRM3_HUMAN

Docking Scores:
-5.43 -6.47 -6.42
Similarity Score:
57.01%
Best Match:
CHEMBL3955458
Prediction Result:
Active62.19%

L: Heroin
GRM4_HUMAN

Docking Scores:
2.96 2.48 2.39
Similarity Score:
28.37%
Best Match:
CHEMBL2063423
Prediction Result:
Inactive99.99%

L: Cocaine
GRM4_HUMAN

Docking Scores:
-3.27 -2.20 -2.33
Similarity Score:
28.12%
Best Match:
CHEMBL578988
Prediction Result:
Inactive99.99%

L: Heroin
GRM5_HUMAN

Docking Scores:
-6.43 0.62 -1.96
Similarity Score:
29.67%
Best Match:
CHEMBL3805652
Prediction Result:
N/A

L: Cocaine
GRM5_HUMAN

Docking Scores:
-8.63 -5.59 -5.90
Similarity Score:
42.50%
Best Match:
CHEMBL3926962
Prediction Result:
N/A

L: Heroin
GRM6_HUMAN

Docking Scores:
-2.39 -6.18 -4.51
Similarity Score:
17.48%
Best Match:
CHEMBL1585091
Prediction Result:
Inactive99.99%

L: Cocaine
GRM6_HUMAN

Docking Scores:
-6.89 -7.62 -7.18
Similarity Score:
38.32%
Best Match:
CHEMBL275079
Prediction Result:
Inactive98.63%

L: Heroin
GRM7_HUMAN

Docking Scores:
-1.17 0.98 1.56
Similarity Score:
29.44%
Best Match:
CHEMBL432038
Prediction Result:
Inactive99.99%

L: Cocaine
GRM7_HUMAN

Docking Scores:
-5.55 -5.20 -4.95
Similarity Score:
30.37%
Best Match:
CHEMBL432038
Prediction Result:
Inactive99.97%

L: Heroin
GRM8_HUMAN

Docking Scores:
6.41 7.05 8.02
Similarity Score:
29.91%
Best Match:
CHEMBL95868
Prediction Result:
Inactive99.99%

L: Cocaine
GRM8_HUMAN

Docking Scores:
-3.86 -3.38 -2.76
Similarity Score:
31.11%
Best Match:
CHEMBL95868
Prediction Result:
Inactive99.99%

L: Heroin
HRH1_HUMAN

Docking Scores:
-7.01
Similarity Score:
40.30%
Best Match:
CHEMBL476839
Prediction Result:
N/A

L: Cocaine
HRH1_HUMAN

Docking Scores:
-6.41
Similarity Score:
65.62%
Best Match:
CHEMBL1201203
Prediction Result:
N/A

L: Heroin
HRH2_HUMAN

Docking Scores:
-8.96 -8.71 -8.65
Similarity Score:
37.68%
Best Match:
CHEMBL490632
Prediction Result:
Active98.32%

L: Cocaine
HRH2_HUMAN

Docking Scores:
-8.40 -7.49 -7.05
Similarity Score:
55.66%
Best Match:
CHEMBL1626
Prediction Result:
Active91.60%

L: Heroin
HRH3_HUMAN

Docking Scores:
-7.61 -8.78 -9.21
Similarity Score:
45.00%
Best Match:
CHEMBL1935421
Prediction Result:
Active60.31%

L: Cocaine
HRH3_HUMAN

Docking Scores:
-7.34 -7.92 -7.84
Similarity Score:
55.28%
Best Match:
CHEMBL514217
Prediction Result:
Active79.12%

L: Heroin
HRH4_HUMAN

Docking Scores:
-7.94 -6.87 -7.93
Similarity Score:
34.98%
Best Match:
CHEMBL1934062
Prediction Result:
Inactive51.29%

L: Cocaine
HRH4_HUMAN

Docking Scores:
-7.83 -7.75 -7.97
Similarity Score:
53.23%
Best Match:
CHEMBL4083336
Prediction Result:
Active85.47%

L: Heroin
MC3R_HUMAN

Docking Scores:
-8.43 -8.21 -7.18
Similarity Score:
32.92%
Best Match:
CHEMBL257759
Prediction Result:
Inactive73.31%

L: Cocaine
MC3R_HUMAN

Docking Scores:
-7.00 -7.02 -6.89
Similarity Score:
47.83%
Best Match:
CHEMBL379879
Prediction Result:
Inactive52.12%

L: Heroin
MC4R_HUMAN

Docking Scores:
-8.17 -7.57 -7.45
Similarity Score:
34.69%
Best Match:
CHEMBL439361
Prediction Result:
Inactive95.04%

L: Cocaine
MC4R_HUMAN

Docking Scores:
-6.86 -6.32 -6.46
Similarity Score:
47.83%
Best Match:
CHEMBL379879
Prediction Result:
Inactive74.10%

L: Heroin
MC5R_HUMAN

Docking Scores:
-6.26 -7.42 -4.75
Similarity Score:
32.92%
Best Match:
CHEMBL257759
Prediction Result:
Inactive87.21%

L: Cocaine
MC5R_HUMAN

Docking Scores:
-6.15 -7.48 -4.80
Similarity Score:
37.21%
Best Match:
CHEMBL1209788
Prediction Result:
Inactive84.94%

L: Heroin
MSHR_HUMAN

Docking Scores:
-8.08 -7.90 -8.34
Similarity Score:
34.60%
Best Match:
CHEMBL442537
Prediction Result:
Inactive69.76%

L: Cocaine
MSHR_HUMAN

Docking Scores:
-7.38 -7.77 -7.74
Similarity Score:
47.83%
Best Match:
CHEMBL379879
Prediction Result:
Inactive57.96%

L: Heroin
NK1R_HUMAN

Docking Scores:
-9.22 -7.83 -7.72
Similarity Score:
44.73%
Best Match:
CHEMBL327606
Prediction Result:
N/A

L: Cocaine
NK1R_HUMAN

Docking Scores:
-7.83 -8.12 -7.35
Similarity Score:
54.84%
Best Match:
CHEMBL2115009
Prediction Result:
N/A

L: Heroin
NK2R_HUMAN

Docking Scores:
-8.70 -8.42 -8.68
Similarity Score:
42.64%
Best Match:
CHEMBL553025
Prediction Result:
Inactive92.92%

L: Cocaine
NK2R_HUMAN

Docking Scores:
-7.89 -7.47 -7.62
Similarity Score:
56.60%
Best Match:
CHEMBL305660
Prediction Result:
Inactive92.97%

L: Heroin
NPBW1_HUMAN

Docking Scores:
-7.81 -8.37 -8.54
Similarity Score:
29.17%
Best Match:
CHEMBL1940539
Prediction Result:
Inactive90.49%

L: Cocaine
NPBW1_HUMAN

Docking Scores:
-7.72 -6.89 -7.40
Similarity Score:
29.89%
Best Match:
CHEMBL1977658
Prediction Result:
Inactive92.67%

L: Heroin
NPFF1_HUMAN

Docking Scores:
-8.24 -8.09 -8.14
Similarity Score:
26.34%
Best Match:
CHEMBL2208334
Prediction Result:
Inactive66.22%

L: Cocaine
NPFF1_HUMAN

Docking Scores:
-7.30 -7.60 -7.30
Similarity Score:
33.10%
Best Match:
CHEMBL1672379
Prediction Result:
Inactive88.23%

L: Heroin
NPSR1_HUMAN

Docking Scores:
-8.06 -8.73 -9.75
Similarity Score:
32.56%
Best Match:
CHEMBL1801359
Prediction Result:
Inactive63.75%

L: Cocaine
NPSR1_HUMAN

Docking Scores:
-7.23 -8.34 -8.14
Similarity Score:
31.58%
Best Match:
CHEMBL230333
Prediction Result:
Inactive72.32%

L: Heroin
NPY1R_HUMAN

Docking Scores:
-9.74 -8.62 -8.97
Similarity Score:
33.33%
Best Match:
CHEMBL356118
Prediction Result:
N/A

L: Cocaine
NPY1R_HUMAN

Docking Scores:
-8.57 -8.59 -7.68
Similarity Score:
42.14%
Best Match:
CHEMBL1223991
Prediction Result:
N/A

L: Heroin
NPY2R_HUMAN

Docking Scores:
-8.50 -8.30 -8.97
Similarity Score:
29.52%
Best Match:
CHEMBL2030193
Prediction Result:
Inactive94.03%

L: Cocaine
NPY2R_HUMAN

Docking Scores:
-7.07 -7.79 -7.34
Similarity Score:
38.69%
Best Match:
CHEMBL2030150
Prediction Result:
Inactive93.83%

L: Heroin
NPY4R_HUMAN

Docking Scores:
-9.00 -9.10 -9.08
Similarity Score:
28.57%
Best Match:
CHEMBL3099721
Prediction Result:
Inactive97.37%

L: Cocaine
NPY4R_HUMAN

Docking Scores:
-7.65 -7.89 -8.03
Similarity Score:
33.99%
Best Match:
CHEMBL2440119
Prediction Result:
Inactive51.78%

L: Heroin
NPY5R_HUMAN

Docking Scores:
-8.20 -8.09 -7.53
Similarity Score:
44.49%
Best Match:
CHEMBL349386
Prediction Result:
Inactive76.99%

L: Cocaine
NPY5R_HUMAN

Docking Scores:
-7.53 -7.87 -7.42
Similarity Score:
46.32%
Best Match:
CHEMBL522913
Prediction Result:
Inactive86.94%

L: Heroin
OPRD_HUMAN

Docking Scores:
-7.82 -7.23 -7.50
Similarity Score:
91.33%
Best Match:
CHEMBL199931
Prediction Result:
N/A

L: Cocaine
OPRD_HUMAN

Docking Scores:
-7.04 -6.26 -6.56
Similarity Score:
46.10%
Best Match:
CHEMBL575647
Prediction Result:
N/A

L: Heroin
OPRK_HUMAN

Docking Scores:
-9.52 -8.81 -8.23
Similarity Score:
91.33%
Best Match:
CHEMBL199931
Prediction Result:
N/A

L: Cocaine
OPRK_HUMAN

Docking Scores:
-8.36 -8.36 -8.13
Similarity Score:
52.00%
Best Match:
CHEMBL179350
Prediction Result:
N/A

L: Heroin
OPRM_HUMAN

Docking Scores:
-8.74 -7.48 -7.39
Similarity Score:
91.33%
Best Match:
CHEMBL199931
Prediction Result:
Active95.49%

L: Cocaine
OPRM_HUMAN

Docking Scores:
-7.88 -6.13 -7.60
Similarity Score:
53.15%
Best Match:
CHEMBL255768
Prediction Result:
Inactive67.88%

L: Heroin
OPRX_HUMAN

Docking Scores:
-7.48 -7.70 -7.75
Similarity Score:
88.72%
Best Match:
CHEMBL3262362
Prediction Result:
N/A

L: Cocaine
OPRX_HUMAN

Docking Scores:
-6.75 -6.76 -6.87
Similarity Score:
52.27%
Best Match:
CHEMBL1783822
Prediction Result:
N/A

L: Heroin
PTAFR_HUMAN

Docking Scores:
-9.28 -8.70 -9.12
Similarity Score:
36.48%
Best Match:
CHEMBL34669
Prediction Result:
Inactive51.75%

L: Cocaine
PTAFR_HUMAN

Docking Scores:
-7.36 -7.28 -7.49
Similarity Score:
40.62%
Best Match:
CHEMBL2304167
Prediction Result:
Active52.78%

L: Heroin
TAAR1_HUMAN

Docking Scores:
-9.54 -9.59 -8.99
Similarity Score:
42.08%
Best Match:
CHEMBL2136532
Prediction Result:
Inactive74.16%

L: Cocaine
TAAR1_HUMAN

Docking Scores:
-8.33 -7.96 -7.73
Similarity Score:
46.67%
Best Match:
CHEMBL1305977
Prediction Result:
Active66.28%

L: Heroin
TSHR_HUMAN

Docking Scores:
-9.43 -9.46 -9.14
Similarity Score:
29.46%
Best Match:
CHEMBL3897841
Prediction Result:
Inactive96.91%

L: Cocaine
TSHR_HUMAN

Docking Scores:
-9.04 -8.80 -8.47
Similarity Score:
29.44%
Best Match:
CHEMBL3897841
Prediction Result:
Inactive96.86%

L: Heroin
V1AR_HUMAN

Docking Scores:
-7.88 -8.17 -8.83
Similarity Score:
34.58%
Best Match:
CHEMBL3416874
Prediction Result:
Inactive83.56%

L: Cocaine
V1AR_HUMAN

Docking Scores:
-7.23 -7.23 -7.42
Similarity Score:
41.22%
Best Match:
CHEMBL3416867
Prediction Result:
Inactive89.79%

L: Heroin
VIPR1_HUMAN

Docking Scores:
-7.73 -9.49 -8.65
Similarity Score:
25.50%
Best Match:
CHEMBL507480
Prediction Result:
N/A

L: Cocaine
VIPR1_HUMAN

Docking Scores:
-7.23 -7.84 -7.64
Similarity Score:
30.05%
Best Match:
CHEMBL3884667
Prediction Result:
N/A