YJING #63 Output Download CSV

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

Docking Scores:
-8.76 -8.51 -7.95
Similarity Score:
61.18%
Best Match:
CHEMBL1254829
Prediction Result:
Active83.82%

5HT1B_HUMAN

Docking Scores:
-9.21 -9.28 -9.18
Similarity Score:
54.32%
Best Match:
CHEMBL140416
Prediction Result:
N/A

5HT1D_HUMAN

Docking Scores:
-8.88 -8.73 -8.07
Similarity Score:
54.32%
Best Match:
CHEMBL140416
Prediction Result:
N/A

5HT1E_HUMAN

Docking Scores:
-9.19 -8.89 -9.26
Similarity Score:
28.46%
Best Match:
CHEMBL2391541
Prediction Result:
Inactive67.38%

5HT1F_HUMAN

Docking Scores:
-8.88 -8.60 -9.28
Similarity Score:
34.75%
Best Match:
CHEMBL184994
Prediction Result:
Inactive57.35%

5HT2A_HUMAN

Docking Scores:
-8.95 -9.47
Similarity Score:
53.47%
Best Match:
CHEMBL3260337
Prediction Result:
N/A

5HT2B_HUMAN

Docking Scores:
-8.42 -8.62 -9.11
Similarity Score:
44.76%
Best Match:
CHEMBL3260334
Prediction Result:
N/A

5HT2C_HUMAN

Docking Scores:
-8.56 -9.58
Similarity Score:
50.47%
Best Match:
CHEMBL1091104
Prediction Result:
N/A

5HT4R_HUMAN

Docking Scores:
-9.90 -9.62 -9.42
Similarity Score:
42.15%
Best Match:
CHEMBL182590
Prediction Result:
Active63.20%

5HT5A_HUMAN

Docking Scores:
-8.93 -8.35 -8.64
Similarity Score:
43.93%
Best Match:
CHEMBL126667
Prediction Result:
Inactive51.34%

5HT6R_HUMAN

Docking Scores:
-8.48 -7.70 -9.07
Similarity Score:
50.00%
Best Match:
CHEMBL455332
Prediction Result:
Active79.96%

5HT7R_HUMAN

Docking Scores:
-8.16 -8.28 -9.17
Similarity Score:
44.59%
Best Match:
CHEMBL3581255
Prediction Result:
Active72.32%

AA1R_HUMAN

Docking Scores:
-9.30 -8.30 -8.96
Similarity Score:
38.27%
Best Match:
CHEMBL3763972
Prediction Result:
N/A

AA2AR_HUMAN

Docking Scores:
-8.83 -9.12 -9.80
Similarity Score:
38.27%
Best Match:
CHEMBL3763972
Prediction Result:
N/A

AA2BR_HUMAN

Docking Scores:
-8.31 -8.83 -8.16
Similarity Score:
33.15%
Best Match:
CHEMBL199826
Prediction Result:
Inactive68.02%

AA3R_HUMAN

Docking Scores:
-8.24 -8.74 -9.80
Similarity Score:
40.00%
Best Match:
CHEMBL27673
Prediction Result:
Inactive67.29%

ACM1_HUMAN

Docking Scores:
-8.97 -6.03
Similarity Score:
44.66%
Best Match:
CHEMBL221753
Prediction Result:
N/A

ACM2_HUMAN

Docking Scores:
-9.34 -8.01 -9.20
Similarity Score:
47.12%
Best Match:
CHEMBL2151158
Prediction Result:
Active63.06%

ACM3_HUMAN

Docking Scores:
-8.30 -9.69 -10.05
Similarity Score:
45.00%
Best Match:
CHEMBL521986
Prediction Result:
Active72.75%

ACM4_HUMAN

Docking Scores:
-9.28 -8.83
Similarity Score:
44.66%
Best Match:
CHEMBL221753
Prediction Result:
N/A

ACM5_HUMAN

Docking Scores:
-9.58 -9.90 -9.80
Similarity Score:
44.66%
Best Match:
CHEMBL221753
Prediction Result:
Active69.06%

ACTHR_HUMAN

Docking Scores:
-10.33 -10.71 -8.25
Similarity Score:
N/A
Best Match:
N/A
Prediction Result:
N/A

ADA1D_HUMAN

Docking Scores:
-8.26 -8.82 -8.01
Similarity Score:
61.18%
Best Match:
CHEMBL1254829
Prediction Result:
Active77.68%

ADA2A_HUMAN

Docking Scores:
-7.29 -8.37 -3.97
Similarity Score:
46.23%
Best Match:
CHEMBL4091137
Prediction Result:
Inactive99.99%

ADA2B_HUMAN

Docking Scores:
-10.06 -9.73 -10.22
Similarity Score:
51.04%
Best Match:
CHEMBL2432051
Prediction Result:
Active65.50%

ADA2C_HUMAN

Docking Scores:
-6.41 -3.77 -1.64
Similarity Score:
53.26%
Best Match:
CHEMBL2432056
Prediction Result:
Inactive99.99%

ADRB1_HUMAN

Docking Scores:
-8.87 -8.87 -9.20
Similarity Score:
42.98%
Best Match:
CHEMBL299175
Prediction Result:
Inactive51.01%

ADRB2_HUMAN

Docking Scores:
-7.85 -9.38 -8.49
Similarity Score:
47.47%
Best Match:
CHEMBL3799593
Prediction Result:
N/A

ADRB3_HUMAN

Docking Scores:
-9.14 -10.15 -9.06
Similarity Score:
47.24%
Best Match:
CHEMBL105475
Prediction Result:
N/A

AGTR2_HUMAN

Docking Scores:
-9.36 -9.22 -8.76
Similarity Score:
48.23%
Best Match:
CHEMBL155987
Prediction Result:
N/A

BKRB2_HUMAN

Docking Scores:
-9.36 -10.62 -10.27
Similarity Score:
31.91%
Best Match:
CHEMBL210662
Prediction Result:
Inactive65.07%

CALCR_HUMAN

Docking Scores:
-8.29 -8.14 -8.76
Similarity Score:
18.03%
Best Match:
CHEMBL2369895
Prediction Result:
Inactive98.34%

CCKAR_HUMAN

Docking Scores:
-7.87 -8.23 -8.17
Similarity Score:
25.71%
Best Match:
CHEMBL505225
Prediction Result:
Inactive96.57%

CCR1_HUMAN

Docking Scores:
-8.54 -7.43 -7.89
Similarity Score:
44.25%
Best Match:
CHEMBL234622
Prediction Result:
Inactive75.68%

CCR2_HUMAN

Docking Scores:
-8.72 -8.00 -7.87
Similarity Score:
39.34%
Best Match:
CHEMBL272331
Prediction Result:
Inactive54.03%

CCR4_HUMAN

Docking Scores:
-7.61 -8.21 -9.14
Similarity Score:
54.64%
Best Match:
CHEMBL1623307
Prediction Result:
Active51.91%

CCR5_HUMAN

Docking Scores:
-9.10 -8.67 -8.69
Similarity Score:
48.70%
Best Match:
CHEMBL233638
Prediction Result:
Inactive78.15%

CLTR1_HUMAN

Docking Scores:
-7.72 -8.88 -9.11
Similarity Score:
37.68%
Best Match:
CHEMBL128151
Prediction Result:
Inactive89.75%

CNR1_HUMAN

Docking Scores:
-9.29 -10.08 -9.69
Similarity Score:
58.77%
Best Match:
CHEMBL260284
Prediction Result:
N/A

CNR2_HUMAN

Docking Scores:
-9.25 -9.93
Similarity Score:
50.00%
Best Match:
CHEMBL3410829
Prediction Result:
N/A

CXCR1_HUMAN

Docking Scores:
-6.41
Similarity Score:
29.89%
Best Match:
CHEMBL490688
Prediction Result:
N/A

CXCR2_HUMAN

Docking Scores:
-9.02 -7.93 -6.72
Similarity Score:
33.82%
Best Match:
CHEMBL3645131
Prediction Result:
Inactive58.81%

CXCR3_HUMAN

Docking Scores:
-8.46 -9.05 -9.28
Similarity Score:
50.40%
Best Match:
CHEMBL3952475
Prediction Result:
Inactive65.78%

CXCR4_HUMAN

Docking Scores:
-8.15 -7.65 -7.78
Similarity Score:
37.37%
Best Match:
CHEMBL3781301
Prediction Result:
N/A

DRD1_HUMAN

Docking Scores:
-9.26 -8.36 -8.44
Similarity Score:
47.47%
Best Match:
CHEMBL3797876
Prediction Result:
Active79.51%

DRD2_HUMAN

Docking Scores:
-8.52
Similarity Score:
58.02%
Best Match:
CHEMBL101285
Prediction Result:
N/A

DRD3_HUMAN

Docking Scores:
-8.07
Similarity Score:
58.02%
Best Match:
CHEMBL101285
Prediction Result:
N/A

DRD4_HUMAN

Docking Scores:
-9.51 -9.23
Similarity Score:
58.02%
Best Match:
CHEMBL101285
Prediction Result:
N/A

DRD5_HUMAN

Docking Scores:
-9.31 -9.49 -8.96
Similarity Score:
41.67%
Best Match:
CHEMBL2334891
Prediction Result:
Active80.19%

EDNRA_HUMAN

Docking Scores:
-7.73 -7.86 -8.20
Similarity Score:
47.01%
Best Match:
CHEMBL48652
Prediction Result:
Active54.56%

GABR1_HUMAN

Docking Scores:
-1.93 -4.78 2.69
Similarity Score:
26.62%
Best Match:
CHEMBL2391908
Prediction Result:
Inactive99.99%

GASR_HUMAN

Docking Scores:
-8.65 -8.31 -6.48
Similarity Score:
25.48%
Best Match:
CHEMBL30756
Prediction Result:
Inactive82.05%

GRM1_HUMAN

Docking Scores:
-8.46 -9.83 -8.73
Similarity Score:
25.88%
Best Match:
CHEMBL3634432
Prediction Result:
Inactive66.21%

GRM2_HUMAN

Docking Scores:
-5.73 -4.55 -4.80
Similarity Score:
54.72%
Best Match:
CHEMBL485175
Prediction Result:
Active61.18%

GRM3_HUMAN

Docking Scores:
-5.48 -8.10 -8.60
Similarity Score:
37.01%
Best Match:
CHEMBL4081453
Prediction Result:
Inactive95.08%

GRM4_HUMAN

Docking Scores:
-1.03 -1.39 -1.39
Similarity Score:
33.58%
Best Match:
CHEMBL2023460
Prediction Result:
Inactive99.99%

GRM5_HUMAN

Docking Scores:
-9.31 -8.83 -8.76
Similarity Score:
61.70%
Best Match:
CHEMBL2151818
Prediction Result:
N/A

GRM6_HUMAN

Docking Scores:
-7.02 -8.15 -5.62
Similarity Score:
20.65%
Best Match:
CHEMBL4101970
Prediction Result:
Inactive89.32%

GRM7_HUMAN

Docking Scores:
-4.21 -3.22 -5.59
Similarity Score:
25.75%
Best Match:
CHEMBL3560922
Prediction Result:
Inactive99.99%

GRM8_HUMAN

Docking Scores:
-4.75 -4.40 -3.07
Similarity Score:
25.75%
Best Match:
CHEMBL3560922
Prediction Result:
Inactive99.99%

HRH1_HUMAN

Docking Scores:
-10.68
Similarity Score:
44.17%
Best Match:
CHEMBL402143
Prediction Result:
N/A

HRH2_HUMAN

Docking Scores:
-9.84 -8.02 -8.33
Similarity Score:
46.09%
Best Match:
CHEMBL3735289
Prediction Result:
Active98.23%

HRH3_HUMAN

Docking Scores:
-9.12 -7.51 -7.85
Similarity Score:
60.23%
Best Match:
CHEMBL193978
Prediction Result:
Active81.03%

HRH4_HUMAN

Docking Scores:
-8.51 -8.12 -8.37
Similarity Score:
38.26%
Best Match:
CHEMBL1934062
Prediction Result:
Inactive60.82%

MC3R_HUMAN

Docking Scores:
-8.75 -8.54 -7.93
Similarity Score:
31.65%
Best Match:
CHEMBL257759
Prediction Result:
Inactive69.74%

MC4R_HUMAN

Docking Scores:
-7.42 -7.49 -7.73
Similarity Score:
66.67%
Best Match:
CHEMBL1501300
Prediction Result:
Active79.96%

MC5R_HUMAN

Docking Scores:
-7.29 -9.94 -7.65
Similarity Score:
35.29%
Best Match:
CHEMBL3932950
Prediction Result:
Inactive66.01%

MSHR_HUMAN

Docking Scores:
-9.30 -8.50 -10.10
Similarity Score:
33.92%
Best Match:
CHEMBL1682208
Prediction Result:
Inactive62.05%

NK1R_HUMAN

Docking Scores:
-8.85 -9.48 -8.55
Similarity Score:
49.56%
Best Match:
CHEMBL138056
Prediction Result:
N/A

NK2R_HUMAN

Docking Scores:
-8.89 -8.67 -8.79
Similarity Score:
49.46%
Best Match:
CHEMBL4111499
Prediction Result:
Inactive83.87%

NPBW1_HUMAN

Docking Scores:
-8.44 -7.05 -7.59
Similarity Score:
27.43%
Best Match:
CHEMBL1940538
Prediction Result:
Inactive88.63%

NPFF1_HUMAN

Docking Scores:
-8.28 -8.48 -8.62
Similarity Score:
30.61%
Best Match:
CHEMBL2208334
Prediction Result:
Inactive71.79%

NPSR1_HUMAN

Docking Scores:
-8.69 -9.74 -8.43
Similarity Score:
27.22%
Best Match:
CHEMBL469695
Prediction Result:
Inactive69.20%

NPY1R_HUMAN

Docking Scores:
-9.24 -9.11 -8.03
Similarity Score:
38.35%
Best Match:
CHEMBL2397291
Prediction Result:
N/A

NPY2R_HUMAN

Docking Scores:
-8.08 -8.53 -7.56
Similarity Score:
35.61%
Best Match:
CHEMBL2030193
Prediction Result:
Inactive94.19%

NPY4R_HUMAN

Docking Scores:
-8.17 -8.46 -8.13
Similarity Score:
29.90%
Best Match:
CHEMBL3559801
Prediction Result:
Inactive72.45%

NPY5R_HUMAN

Docking Scores:
-8.21 -7.79 -8.36
Similarity Score:
43.31%
Best Match:
CHEMBL445613
Prediction Result:
Active50.59%

OPRD_HUMAN

Docking Scores:
-8.46 -7.05 -7.49
Similarity Score:
44.35%
Best Match:
CHEMBL611163
Prediction Result:
N/A

OPRK_HUMAN

Docking Scores:
-8.86 -8.80 -9.23
Similarity Score:
51.35%
Best Match:
CHEMBL384895
Prediction Result:
N/A

OPRM_HUMAN

Docking Scores:
-9.71 -8.41 -8.68
Similarity Score:
51.35%
Best Match:
CHEMBL384895
Prediction Result:
Active66.19%

OPRX_HUMAN

Docking Scores:
-7.64 -7.62 -7.77
Similarity Score:
45.19%
Best Match:
CHEMBL388122
Prediction Result:
N/A

PTAFR_HUMAN

Docking Scores:
-7.84 -8.18 -9.27
Similarity Score:
37.61%
Best Match:
CHEMBL297624
Prediction Result:
Active50.78%

TAAR1_HUMAN

Docking Scores:
-9.40 -8.89 -8.96
Similarity Score:
52.34%
Best Match:
CHEMBL1391510
Prediction Result:
Inactive57.38%

TSHR_HUMAN

Docking Scores:
-9.26 -9.70 -9.83
Similarity Score:
36.67%
Best Match:
CHEMBL1705547
Prediction Result:
Inactive88.74%

V1AR_HUMAN

Docking Scores:
-8.12 -7.81 -9.39
Similarity Score:
38.52%
Best Match:
CHEMBL1084326
Prediction Result:
Inactive87.43%

VIPR1_HUMAN

Docking Scores:
-9.11 -8.55 -8.18
Similarity Score:
22.04%
Best Match:
CHEMBL520349
Prediction Result:
N/A