a #39 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

5HT1A_HUMAN

Docking Scores:
-8.72 -8.56 -8.12
Similarity Score:
31.17%
Best Match:
CHEMBL1255002
Prediction Result:
Inactive67.15%

5HT1B_HUMAN

Docking Scores:
-10.02 -9.94 -10.34
Similarity Score:
25.30%
Best Match:
CHEMBL3139682
Prediction Result:
N/A

5HT1D_HUMAN

Docking Scores:
-10.12 -9.48 -9.67
Similarity Score:
26.47%
Best Match:
CHEMBL2260921
Prediction Result:
N/A

5HT1E_HUMAN

Docking Scores:
-9.52 -9.23 -8.71
Similarity Score:
25.30%
Best Match:
CHEMBL3139682
Prediction Result:
Inactive60.92%

5HT1F_HUMAN

Docking Scores:
-9.65 -10.16 -9.73
Similarity Score:
25.30%
Best Match:
CHEMBL3139682
Prediction Result:
Inactive71.54%

5HT2A_HUMAN

Docking Scores:
-10.28 -10.83
Similarity Score:
35.48%
Best Match:
CHEMBL420
Prediction Result:
N/A

5HT2B_HUMAN

Docking Scores:
-10.13 -10.38 -10.83
Similarity Score:
37.50%
Best Match:
CHEMBL493128
Prediction Result:
N/A

5HT2C_HUMAN

Docking Scores:
-10.18 -10.05
Similarity Score:
40.24%
Best Match:
CHEMBL1092167
Prediction Result:
N/A

5HT4R_HUMAN

Docking Scores:
-11.70 -11.70 -9.52
Similarity Score:
25.30%
Best Match:
CHEMBL3139682
Prediction Result:
Inactive77.62%

5HT5A_HUMAN

Docking Scores:
-8.85 -7.70 -9.08
Similarity Score:
27.03%
Best Match:
CHEMBL189262
Prediction Result:
Inactive72.49%

5HT6R_HUMAN

Docking Scores:
-9.76 -9.39 -10.52
Similarity Score:
34.55%
Best Match:
CHEMBL1670
Prediction Result:
Active78.94%

5HT7R_HUMAN

Docking Scores:
-8.79 -8.78 -8.62
Similarity Score:
32.89%
Best Match:
CHEMBL3961059
Prediction Result:
Inactive62.41%

AA1R_HUMAN

Docking Scores:
-9.27 -9.46 -8.26
Similarity Score:
32.95%
Best Match:
CHEMBL3982084
Prediction Result:
N/A

AA2AR_HUMAN

Docking Scores:
-9.92 -9.84 -10.29
Similarity Score:
34.85%
Best Match:
CHEMBL496
Prediction Result:
N/A

AA2BR_HUMAN

Docking Scores:
-8.81 -9.34 -8.79
Similarity Score:
26.61%
Best Match:
CHEMBL2024112
Prediction Result:
Active54.85%

AA3R_HUMAN

Docking Scores:
-8.75 -4.78 -5.45
Similarity Score:
34.85%
Best Match:
CHEMBL496
Prediction Result:
Active61.25%

ACM1_HUMAN

Docking Scores:
-7.13 5.40
Similarity Score:
37.50%
Best Match:
CHEMBL1084850
Prediction Result:
N/A

ACM2_HUMAN

Docking Scores:
-9.74 -8.98 -7.80
Similarity Score:
28.38%
Best Match:
CHEMBL1290183
Prediction Result:
Inactive59.26%

ACM3_HUMAN

Docking Scores:
-8.98 -10.45 -9.94
Similarity Score:
37.50%
Best Match:
CHEMBL1084850
Prediction Result:
Active59.87%

ACM4_HUMAN

Docking Scores:
-7.19 -8.23
Similarity Score:
23.60%
Best Match:
CHEMBL809
Prediction Result:
N/A

ACM5_HUMAN

Docking Scores:
-8.96 -9.82 -9.61
Similarity Score:
23.60%
Best Match:
CHEMBL809
Prediction Result:
Active56.79%

ACTHR_HUMAN

Docking Scores:
-10.53 -10.36 -8.20
Similarity Score:
N/A
Best Match:
N/A
Prediction Result:
N/A

ADA1D_HUMAN

Docking Scores:
-9.69 -8.47 -9.37
Similarity Score:
35.48%
Best Match:
CHEMBL420
Prediction Result:
Inactive53.11%

ADA2A_HUMAN

Docking Scores:
-3.92 -1.92 5.61
Similarity Score:
35.48%
Best Match:
CHEMBL420
Prediction Result:
Inactive99.99%

ADA2B_HUMAN

Docking Scores:
-9.80 -9.27 -9.64
Similarity Score:
35.48%
Best Match:
CHEMBL420
Prediction Result:
Inactive50.72%

ADA2C_HUMAN

Docking Scores:
-4.67 -3.82 1.51
Similarity Score:
35.48%
Best Match:
CHEMBL420
Prediction Result:
Inactive99.99%

ADRB1_HUMAN

Docking Scores:
-9.97 -10.00 -9.97
Similarity Score:
40.79%
Best Match:
CHEMBL269823
Prediction Result:
Active57.53%

ADRB2_HUMAN

Docking Scores:
-9.46 -10.40 -10.61
Similarity Score:
33.80%
Best Match:
CHEMBL49080
Prediction Result:
N/A

ADRB3_HUMAN

Docking Scores:
-10.05 -11.11 -9.76
Similarity Score:
40.79%
Best Match:
CHEMBL269823
Prediction Result:
N/A

AGTR2_HUMAN

Docking Scores:
-8.73 -9.27 -8.86
Similarity Score:
19.17%
Best Match:
CHEMBL290286
Prediction Result:
N/A

BKRB2_HUMAN

Docking Scores:
-9.90 -9.97 -9.71
Similarity Score:
19.84%
Best Match:
CHEMBL551435
Prediction Result:
Inactive80.00%

CALCR_HUMAN

Docking Scores:
-8.73 -9.06 -8.56
Similarity Score:
8.95%
Best Match:
CHEMBL2369897
Prediction Result:
Inactive99.03%

CCKAR_HUMAN

Docking Scores:
-8.56 -7.41 -8.63
Similarity Score:
18.75%
Best Match:
CHEMBL206025
Prediction Result:
Inactive97.17%

CCR1_HUMAN

Docking Scores:
-8.67 -8.73 -8.68
Similarity Score:
31.58%
Best Match:
CHEMBL2205805
Prediction Result:
Inactive71.01%

CCR2_HUMAN

Docking Scores:
-8.62 -8.45 -8.55
Similarity Score:
25.22%
Best Match:
CHEMBL337720
Prediction Result:
Inactive80.28%

CCR4_HUMAN

Docking Scores:
-7.89 -9.07 -9.29
Similarity Score:
21.10%
Best Match:
CHEMBL233047
Prediction Result:
Inactive61.38%

CCR5_HUMAN

Docking Scores:
-8.41 -8.89 -8.68
Similarity Score:
24.42%
Best Match:
CHEMBL94032
Prediction Result:
Inactive95.16%

CLTR1_HUMAN

Docking Scores:
-8.77 -10.10 -9.49
Similarity Score:
18.83%
Best Match:
CHEMBL416769
Prediction Result:
Inactive85.64%

CNR1_HUMAN

Docking Scores:
-8.91 -8.47 -8.79
Similarity Score:
57.89%
Best Match:
CHEMBL3950898
Prediction Result:
N/A

CNR2_HUMAN

Docking Scores:
-10.40 -9.61
Similarity Score:
57.89%
Best Match:
CHEMBL3950898
Prediction Result:
N/A

CXCR1_HUMAN

Docking Scores:
-0.87
Similarity Score:
25.61%
Best Match:
CHEMBL139
Prediction Result:
N/A

CXCR2_HUMAN

Docking Scores:
-8.09 -7.40 -7.45
Similarity Score:
21.93%
Best Match:
CHEMBL82566
Prediction Result:
Inactive68.44%

CXCR3_HUMAN

Docking Scores:
-10.91 -10.57 -10.82
Similarity Score:
46.97%
Best Match:
CHEMBL2181445
Prediction Result:
Active70.58%

CXCR4_HUMAN

Docking Scores:
-10.04 -7.02 -8.81
Similarity Score:
21.88%
Best Match:
CHEMBL2311089
Prediction Result:
N/A

DRD1_HUMAN

Docking Scores:
-9.67 -9.00 -9.22
Similarity Score:
27.06%
Best Match:
CHEMBL383451
Prediction Result:
Inactive62.67%

DRD2_HUMAN

Docking Scores:
-9.86
Similarity Score:
30.16%
Best Match:
CHEMBL2048227
Prediction Result:
N/A

DRD3_HUMAN

Docking Scores:
-9.60
Similarity Score:
28.12%
Best Match:
CHEMBL374749
Prediction Result:
N/A

DRD4_HUMAN

Docking Scores:
-9.85 -9.66
Similarity Score:
32.14%
Best Match:
CHEMBL366043
Prediction Result:
N/A

DRD5_HUMAN

Docking Scores:
-7.74 -10.64 -9.84
Similarity Score:
27.06%
Best Match:
CHEMBL383451
Prediction Result:
Inactive71.77%

EDNRA_HUMAN

Docking Scores:
-7.69 -7.74 -7.95
Similarity Score:
26.47%
Best Match:
CHEMBL283200
Prediction Result:
Inactive68.94%

GABR1_HUMAN

Docking Scores:
0.68 -8.41 30.65
Similarity Score:
18.58%
Best Match:
CHEMBL2391908
Prediction Result:
Inactive99.99%

GASR_HUMAN

Docking Scores:
-8.25 -7.84 -7.40
Similarity Score:
22.77%
Best Match:
CHEMBL537171
Prediction Result:
Inactive83.67%

GRM1_HUMAN

Docking Scores:
-11.21 -10.82 -10.22
Similarity Score:
22.22%
Best Match:
CHEMBL1269125
Prediction Result:
Inactive55.62%

GRM2_HUMAN

Docking Scores:
-4.00 -5.77 -1.07
Similarity Score:
35.63%
Best Match:
CHEMBL503697
Prediction Result:
Inactive99.99%

GRM3_HUMAN

Docking Scores:
-4.87 -7.41 -8.25
Similarity Score:
26.25%
Best Match:
CHEMBL333771
Prediction Result:
Inactive95.07%

GRM4_HUMAN

Docking Scores:
2.86 1.54 2.79
Similarity Score:
23.36%
Best Match:
CHEMBL2023456
Prediction Result:
Inactive99.99%

GRM5_HUMAN

Docking Scores:
-10.37 -5.62 -4.04
Similarity Score:
32.29%
Best Match:
CHEMBL3603919
Prediction Result:
N/A

GRM6_HUMAN

Docking Scores:
-2.71 -7.82 -2.37
Similarity Score:
16.13%
Best Match:
CHEMBL566136
Prediction Result:
Inactive99.99%

GRM7_HUMAN

Docking Scores:
2.76 -0.62 -0.12
Similarity Score:
11.26%
Best Match:
CHEMBL3560922
Prediction Result:
Inactive99.99%

GRM8_HUMAN

Docking Scores:
6.27 5.96 6.01
Similarity Score:
18.07%
Best Match:
CHEMBL143210
Prediction Result:
Inactive99.99%

HRH1_HUMAN

Docking Scores:
-9.78
Similarity Score:
26.60%
Best Match:
CHEMBL105385
Prediction Result:
N/A

HRH2_HUMAN

Docking Scores:
-9.13 -8.71 -8.84
Similarity Score:
26.47%
Best Match:
CHEMBL2207642
Prediction Result:
Active82.76%

HRH3_HUMAN

Docking Scores:
-8.58 -9.53 -8.80
Similarity Score:
44.44%
Best Match:
CHEMBL209478
Prediction Result:
Active59.79%

HRH4_HUMAN

Docking Scores:
-10.18 -9.66 -9.67
Similarity Score:
32.26%
Best Match:
CHEMBL1934049
Prediction Result:
Inactive76.68%

MC3R_HUMAN

Docking Scores:
-9.60 -9.16 -9.01
Similarity Score:
20.00%
Best Match:
CHEMBL185862
Prediction Result:
Inactive72.02%

MC4R_HUMAN

Docking Scores:
-7.76 -7.31 -8.16
Similarity Score:
29.29%
Best Match:
CHEMBL226177
Prediction Result:
Inactive87.60%

MC5R_HUMAN

Docking Scores:
-6.72 -9.60 -6.00
Similarity Score:
24.56%
Best Match:
CHEMBL3940009
Prediction Result:
Inactive95.18%

MSHR_HUMAN

Docking Scores:
-8.07 -8.48 -7.80
Similarity Score:
17.73%
Best Match:
CHEMBL2371969
Prediction Result:
Inactive85.65%

NK1R_HUMAN

Docking Scores:
-9.00 -9.50 -9.62
Similarity Score:
35.71%
Best Match:
CHEMBL92032
Prediction Result:
N/A

NK2R_HUMAN

Docking Scores:
-9.68 -9.93 -10.13
Similarity Score:
27.10%
Best Match:
CHEMBL3642161
Prediction Result:
Inactive66.58%

NPBW1_HUMAN

Docking Scores:
-8.07 -8.28 -7.42
Similarity Score:
15.58%
Best Match:
CHEMBL2314317
Prediction Result:
Inactive96.27%

NPFF1_HUMAN

Docking Scores:
-9.40 -9.11 -7.91
Similarity Score:
29.73%
Best Match:
CHEMBL575058
Prediction Result:
Inactive68.00%

NPSR1_HUMAN

Docking Scores:
-9.23 -10.75 -8.90
Similarity Score:
16.07%
Best Match:
CHEMBL1289780
Prediction Result:
Inactive58.42%

NPY1R_HUMAN

Docking Scores:
-10.03 -8.65 -8.98
Similarity Score:
18.27%
Best Match:
CHEMBL551876
Prediction Result:
N/A

NPY2R_HUMAN

Docking Scores:
-8.25 -8.99 -7.87
Similarity Score:
21.48%
Best Match:
CHEMBL1398754
Prediction Result:
Inactive95.85%

NPY4R_HUMAN

Docking Scores:
-9.03 -9.57 -9.50
Similarity Score:
16.67%
Best Match:
CHEMBL3559801
Prediction Result:
Inactive99.63%

NPY5R_HUMAN

Docking Scores:
-8.12 -7.96 -7.78
Similarity Score:
30.11%
Best Match:
CHEMBL332561
Prediction Result:
Inactive88.51%

OPRD_HUMAN

Docking Scores:
-7.74 -6.25 -7.09
Similarity Score:
26.50%
Best Match:
CHEMBL250186
Prediction Result:
N/A

OPRK_HUMAN

Docking Scores:
-9.86 -9.89 -8.31
Similarity Score:
28.38%
Best Match:
CHEMBL102999
Prediction Result:
N/A

OPRM_HUMAN

Docking Scores:
-8.54 -7.21 -8.26
Similarity Score:
26.67%
Best Match:
CHEMBL1818338
Prediction Result:
Inactive84.04%

OPRX_HUMAN

Docking Scores:
-8.49 -7.79 -8.52
Similarity Score:
26.32%
Best Match:
CHEMBL320991
Prediction Result:
N/A

PTAFR_HUMAN

Docking Scores:
-8.80 -9.59 -9.87
Similarity Score:
20.39%
Best Match:
CHEMBL416120
Prediction Result:
Inactive67.10%

TAAR1_HUMAN

Docking Scores:
-10.18 -10.36 -9.47
Similarity Score:
45.65%
Best Match:
CHEMBL274497
Prediction Result:
Inactive52.89%

TSHR_HUMAN

Docking Scores:
-9.59 -11.33 -9.46
Similarity Score:
18.26%
Best Match:
CHEMBL4114422
Prediction Result:
Inactive92.12%

V1AR_HUMAN

Docking Scores:
-9.50 -8.48 -8.84
Similarity Score:
36.47%
Best Match:
CHEMBL1085123
Prediction Result:
Inactive56.34%

VIPR1_HUMAN

Docking Scores:
-8.68 -8.06 -8.14
Similarity Score:
14.20%
Best Match:
CHEMBL520349
Prediction Result:
N/A