yong1 #8 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

5HT1A_HUMAN

Docking Scores:
-6.93 -7.16 -6.44
Similarity Score:
27.23%
Best Match:
CHEMBL180405
Prediction Result:
Inactive74.90%

5HT1B_HUMAN

Docking Scores:
-7.84 -8.15 -6.89
Similarity Score:
19.22%
Best Match:
CHEMBL442
Prediction Result:
N/A

5HT1D_HUMAN

Docking Scores:
-7.34 -6.74 -6.96
Similarity Score:
20.79%
Best Match:
CHEMBL151825
Prediction Result:
N/A

5HT1E_HUMAN

Docking Scores:
-6.96 -7.89 -7.40
Similarity Score:
15.83%
Best Match:
CHEMBL343755
Prediction Result:
Inactive50.23%

5HT1F_HUMAN

Docking Scores:
-7.50 -7.83 -7.79
Similarity Score:
14.63%
Best Match:
CHEMBL187928
Prediction Result:
Inactive73.86%

5HT2A_HUMAN

Docking Scores:
-7.75 -8.01
Similarity Score:
37.68%
Best Match:
CHEMBL1909065
Prediction Result:
N/A

5HT2B_HUMAN

Docking Scores:
-7.40 -7.81 -7.13
Similarity Score:
37.68%
Best Match:
CHEMBL1909065
Prediction Result:
N/A

5HT2C_HUMAN

Docking Scores:
-7.28 -7.78
Similarity Score:
37.68%
Best Match:
CHEMBL1909065
Prediction Result:
N/A

5HT4R_HUMAN

Docking Scores:
-7.50 -7.56 -6.78
Similarity Score:
21.58%
Best Match:
CHEMBL1632169
Prediction Result:
Inactive81.14%

5HT5A_HUMAN

Docking Scores:
-7.59 -6.26 -6.80
Similarity Score:
19.22%
Best Match:
CHEMBL442
Prediction Result:
Inactive74.11%

5HT6R_HUMAN

Docking Scores:
-7.09 -7.29 -6.85
Similarity Score:
37.68%
Best Match:
CHEMBL1909065
Prediction Result:
Inactive54.53%

5HT7R_HUMAN

Docking Scores:
-7.53 -7.49 -7.67
Similarity Score:
26.63%
Best Match:
CHEMBL487192
Prediction Result:
Inactive68.61%

AA1R_HUMAN

Docking Scores:
-7.05 -7.42 -5.85
Similarity Score:
22.49%
Best Match:
CHEMBL608220
Prediction Result:
N/A

AA2AR_HUMAN

Docking Scores:
-6.38 -6.69 -7.43
Similarity Score:
22.18%
Best Match:
CHEMBL4089092
Prediction Result:
N/A

AA2BR_HUMAN

Docking Scores:
-7.67 -8.33 -7.78
Similarity Score:
22.65%
Best Match:
CHEMBL3091705
Prediction Result:
Inactive82.21%

AA3R_HUMAN

Docking Scores:
-5.67 -3.91 -7.04
Similarity Score:
52.76%
Best Match:
CHEMBL1200633
Prediction Result:
Inactive99.99%

ACM1_HUMAN

Docking Scores:
-6.71 -0.84
Similarity Score:
37.21%
Best Match:
CHEMBL363895
Prediction Result:
N/A

ACM2_HUMAN

Docking Scores:
-7.81 -7.82 -7.76
Similarity Score:
37.21%
Best Match:
CHEMBL363895
Prediction Result:
Inactive60.07%

ACM3_HUMAN

Docking Scores:
-7.99 -8.36 -8.09
Similarity Score:
33.77%
Best Match:
CHEMBL58824
Prediction Result:
Inactive62.46%

ACM4_HUMAN

Docking Scores:
-7.27 -5.83
Similarity Score:
33.77%
Best Match:
CHEMBL277642
Prediction Result:
N/A

ACM5_HUMAN

Docking Scores:
-7.43 -8.01 -8.07
Similarity Score:
33.77%
Best Match:
CHEMBL277642
Prediction Result:
Active82.18%

ACTHR_HUMAN

Docking Scores:
-7.98 -6.93 -7.46
Similarity Score:
N/A
Best Match:
N/A
Prediction Result:
N/A

ADA1D_HUMAN

Docking Scores:
-7.74 -6.32 -7.45
Similarity Score:
37.68%
Best Match:
CHEMBL1909065
Prediction Result:
Inactive50.69%

ADA2A_HUMAN

Docking Scores:
0.34 -2.53 1.15
Similarity Score:
37.68%
Best Match:
CHEMBL1909065
Prediction Result:
Inactive99.99%

ADA2B_HUMAN

Docking Scores:
-8.22 -7.57 -5.98
Similarity Score:
37.68%
Best Match:
CHEMBL1909065
Prediction Result:
Active51.48%

ADA2C_HUMAN

Docking Scores:
-1.31 0.44 3.64
Similarity Score:
52.76%
Best Match:
CHEMBL1200633
Prediction Result:
Inactive99.99%

ADRB1_HUMAN

Docking Scores:
-7.28 -7.15 -7.59
Similarity Score:
21.43%
Best Match:
CHEMBL446840
Prediction Result:
Active54.41%

ADRB2_HUMAN

Docking Scores:
-7.30 -6.61 -8.10
Similarity Score:
25.00%
Best Match:
CHEMBL1714856
Prediction Result:
N/A

ADRB3_HUMAN

Docking Scores:
-8.32 -6.67 -7.55
Similarity Score:
21.43%
Best Match:
CHEMBL1086536
Prediction Result:
N/A

AGTR2_HUMAN

Docking Scores:
-6.93 -7.03 -6.76
Similarity Score:
19.53%
Best Match:
CHEMBL507053
Prediction Result:
N/A

BKRB2_HUMAN

Docking Scores:
-7.71 -7.32 -7.63
Similarity Score:
17.62%
Best Match:
CHEMBL384617
Prediction Result:
Inactive92.57%

CALCR_HUMAN

Docking Scores:
-6.30 -6.80 -6.93
Similarity Score:
14.41%
Best Match:
CHEMBL2369895
Prediction Result:
Inactive97.03%

CCKAR_HUMAN

Docking Scores:
-7.08 -7.52 -7.55
Similarity Score:
15.69%
Best Match:
CHEMBL332263
Prediction Result:
Inactive98.69%

CCR1_HUMAN

Docking Scores:
-6.89 -7.29 -6.71
Similarity Score:
20.92%
Best Match:
CHEMBL2178572
Prediction Result:
Inactive98.50%

CCR2_HUMAN

Docking Scores:
-7.51 -6.81 -6.41
Similarity Score:
28.85%
Best Match:
CHEMBL3753178
Prediction Result:
Inactive98.24%

CCR4_HUMAN

Docking Scores:
-7.58 -7.31 -7.16
Similarity Score:
18.78%
Best Match:
CHEMBL1621896
Prediction Result:
Inactive76.75%

CCR5_HUMAN

Docking Scores:
-6.76 -7.00 -6.44
Similarity Score:
24.77%
Best Match:
CHEMBL64322
Prediction Result:
Inactive99.67%

CLTR1_HUMAN

Docking Scores:
-7.44 -7.87 -8.09
Similarity Score:
22.45%
Best Match:
CHEMBL285954
Prediction Result:
Inactive95.31%

CNR1_HUMAN

Docking Scores:
-6.87 -7.29 -7.97
Similarity Score:
31.62%
Best Match:
CHEMBL122972
Prediction Result:
N/A

CNR2_HUMAN

Docking Scores:
-7.15 -8.18
Similarity Score:
31.62%
Best Match:
CHEMBL122972
Prediction Result:
N/A

CXCR1_HUMAN

Docking Scores:
-3.34
Similarity Score:
18.77%
Best Match:
CHEMBL3906175
Prediction Result:
N/A

CXCR2_HUMAN

Docking Scores:
-7.29 -7.16 -7.38
Similarity Score:
19.19%
Best Match:
CHEMBL3645131
Prediction Result:
Inactive75.13%

CXCR3_HUMAN

Docking Scores:
-7.82 -7.82 -7.43
Similarity Score:
21.74%
Best Match:
CHEMBL244814
Prediction Result:
Inactive98.58%

CXCR4_HUMAN

Docking Scores:
-7.66 -6.87 -6.95
Similarity Score:
40.17%
Best Match:
CHEMBL1221944
Prediction Result:
N/A

DRD1_HUMAN

Docking Scores:
-7.20 -7.57 -8.69
Similarity Score:
20.46%
Best Match:
CHEMBL1403281
Prediction Result:
Inactive65.79%

DRD2_HUMAN

Docking Scores:
-6.74
Similarity Score:
37.68%
Best Match:
CHEMBL1909065
Prediction Result:
N/A

DRD3_HUMAN

Docking Scores:
-7.75
Similarity Score:
52.76%
Best Match:
CHEMBL1200633
Prediction Result:
N/A

DRD4_HUMAN

Docking Scores:
-7.74 -7.82
Similarity Score:
24.38%
Best Match:
CHEMBL2443008
Prediction Result:
N/A

DRD5_HUMAN

Docking Scores:
-7.57 -7.67 -6.82
Similarity Score:
16.17%
Best Match:
CHEMBL1258223
Prediction Result:
Inactive92.51%

EDNRA_HUMAN

Docking Scores:
-7.15 -6.62 -7.35
Similarity Score:
29.63%
Best Match:
CHEMBL273948
Prediction Result:
Inactive72.84%

GABR1_HUMAN

Docking Scores:
2.66 1.25 6.44
Similarity Score:
12.20%
Best Match:
CHEMBL2391908
Prediction Result:
Inactive99.99%

GASR_HUMAN

Docking Scores:
-7.07 -7.25 -6.08
Similarity Score:
19.03%
Best Match:
CHEMBL433028
Prediction Result:
Inactive92.80%

GRM1_HUMAN

Docking Scores:
-8.03 -6.82 -7.71
Similarity Score:
26.28%
Best Match:
CHEMBL254372
Prediction Result:
Inactive71.67%

GRM2_HUMAN

Docking Scores:
1.26 2.34 1.05
Similarity Score:
27.03%
Best Match:
CHEMBL275079
Prediction Result:
Inactive99.99%

GRM3_HUMAN

Docking Scores:
-2.82 -3.55 -5.42
Similarity Score:
27.03%
Best Match:
CHEMBL275079
Prediction Result:
Inactive99.99%

GRM4_HUMAN

Docking Scores:
-0.00 2.48 0.41
Similarity Score:
18.47%
Best Match:
CHEMBL1921961
Prediction Result:
Inactive99.99%

GRM5_HUMAN

Docking Scores:
-7.33 -3.37 -4.10
Similarity Score:
20.30%
Best Match:
CHEMBL3086720
Prediction Result:
N/A

GRM6_HUMAN

Docking Scores:
-4.93 -4.73 -5.12
Similarity Score:
27.03%
Best Match:
CHEMBL275079
Prediction Result:
Inactive95.67%

GRM7_HUMAN

Docking Scores:
-2.05 -0.25 -1.60
Similarity Score:
16.76%
Best Match:
CHEMBL432038
Prediction Result:
Inactive99.99%

GRM8_HUMAN

Docking Scores:
0.93 2.35 3.78
Similarity Score:
17.30%
Best Match:
CHEMBL95868
Prediction Result:
Inactive99.99%

HRH1_HUMAN

Docking Scores:
-4.63
Similarity Score:
21.76%
Best Match:
CHEMBL1101
Prediction Result:
N/A

HRH2_HUMAN

Docking Scores:
-8.00 -7.43 -7.17
Similarity Score:
16.48%
Best Match:
CHEMBL1626
Prediction Result:
Active61.79%

HRH3_HUMAN

Docking Scores:
-6.34 -7.77 -8.28
Similarity Score:
25.13%
Best Match:
CHEMBL471555
Prediction Result:
Inactive79.73%

HRH4_HUMAN

Docking Scores:
-7.50 -7.22 -7.91
Similarity Score:
19.57%
Best Match:
CHEMBL1935450
Prediction Result:
Inactive60.35%

MC3R_HUMAN

Docking Scores:
-6.78 -6.85 -6.27
Similarity Score:
18.67%
Best Match:
CHEMBL380437
Prediction Result:
Inactive82.65%

MC4R_HUMAN

Docking Scores:
-7.24 -5.93 -6.65
Similarity Score:
21.18%
Best Match:
CHEMBL398932
Prediction Result:
Inactive96.68%

MC5R_HUMAN

Docking Scores:
-5.25 -6.44 -4.12
Similarity Score:
17.17%
Best Match:
CHEMBL380635
Prediction Result:
Inactive99.99%

MSHR_HUMAN

Docking Scores:
-6.44 -6.59 -6.43
Similarity Score:
18.67%
Best Match:
CHEMBL380437
Prediction Result:
Inactive81.45%

NK1R_HUMAN

Docking Scores:
-7.69 -7.44 -7.03
Similarity Score:
27.23%
Best Match:
CHEMBL420221
Prediction Result:
N/A

NK2R_HUMAN

Docking Scores:
-7.37 -7.34 -7.14
Similarity Score:
35.32%
Best Match:
CHEMBL311857
Prediction Result:
Inactive98.76%

NPBW1_HUMAN

Docking Scores:
-6.89 -7.54 -7.86
Similarity Score:
16.24%
Best Match:
CHEMBL1989216
Prediction Result:
Inactive96.06%

NPFF1_HUMAN

Docking Scores:
-6.86 -7.30 -7.11
Similarity Score:
15.48%
Best Match:
CHEMBL3746851
Prediction Result:
Inactive93.79%

NPSR1_HUMAN

Docking Scores:
-7.64 -7.95 -7.36
Similarity Score:
15.42%
Best Match:
CHEMBL1210411
Prediction Result:
Inactive81.32%

NPY1R_HUMAN

Docking Scores:
-8.03 -8.06 -7.57
Similarity Score:
27.93%
Best Match:
CHEMBL1223998
Prediction Result:
N/A

NPY2R_HUMAN

Docking Scores:
-6.91 -7.27 -7.25
Similarity Score:
19.05%
Best Match:
CHEMBL561577
Prediction Result:
Inactive97.76%

NPY4R_HUMAN

Docking Scores:
-7.89 -7.86 -7.77
Similarity Score:
17.17%
Best Match:
CHEMBL2440912
Prediction Result:
Inactive54.74%

NPY5R_HUMAN

Docking Scores:
-7.47 -7.04 -7.11
Similarity Score:
26.00%
Best Match:
CHEMBL508770
Prediction Result:
Inactive96.02%

OPRD_HUMAN

Docking Scores:
-6.59 -6.55 -6.30
Similarity Score:
32.57%
Best Match:
CHEMBL1743605
Prediction Result:
N/A

OPRK_HUMAN

Docking Scores:
-8.01 -6.70 -7.52
Similarity Score:
44.67%
Best Match:
CHEMBL434746
Prediction Result:
N/A

OPRM_HUMAN

Docking Scores:
-7.02 -6.58 -6.42
Similarity Score:
35.83%
Best Match:
CHEMBL1330
Prediction Result:
Inactive91.69%

OPRX_HUMAN

Docking Scores:
-6.36 -6.20 -6.73
Similarity Score:
25.82%
Best Match:
CHEMBL3262362
Prediction Result:
N/A

PTAFR_HUMAN

Docking Scores:
-6.50 -6.00 -6.24
Similarity Score:
43.36%
Best Match:
CHEMBL371569
Prediction Result:
Inactive79.75%

TAAR1_HUMAN

Docking Scores:
-8.33 -8.42 -7.53
Similarity Score:
32.74%
Best Match:
CHEMBL2358935
Prediction Result:
Inactive51.01%

TSHR_HUMAN

Docking Scores:
-7.40 -7.54 -7.19
Similarity Score:
20.26%
Best Match:
CHEMBL3897841
Prediction Result:
Inactive95.53%

V1AR_HUMAN

Docking Scores:
-6.98 -6.62 -7.11
Similarity Score:
27.52%
Best Match:
CHEMBL251771
Prediction Result:
Inactive95.19%

VIPR1_HUMAN

Docking Scores:
-7.19 -7.40 -7.28
Similarity Score:
13.23%
Best Match:
CHEMBL3884667
Prediction Result:
N/A