A #486 Output Download CSV

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

Docking Scores:
-9.30 -7.64 -8.20
Similarity Score:
100.00%
Best Match:
CHEMBL2028019
Prediction Result:
Active99.99%

5HT1B_HUMAN

Docking Scores:
-9.67 -10.10 -9.10
Similarity Score:
45.69%
Best Match:
CHEMBL370128
Prediction Result:
N/A

5HT1D_HUMAN

Docking Scores:
-9.15 -9.41 -8.54
Similarity Score:
72.16%
Best Match:
CHEMBL1085672
Prediction Result:
N/A

5HT1E_HUMAN

Docking Scores:
-8.48 -8.91 -9.30
Similarity Score:
31.52%
Best Match:
CHEMBL29410
Prediction Result:
Inactive66.40%

5HT1F_HUMAN

Docking Scores:
-8.71 -9.47 -9.32
Similarity Score:
36.81%
Best Match:
CHEMBL186951
Prediction Result:
Active54.14%

5HT2A_HUMAN

Docking Scores:
-10.04 -9.64
Similarity Score:
100.00%
Best Match:
CHEMBL2028019
Prediction Result:
N/A

5HT2B_HUMAN

Docking Scores:
-8.84 -9.93 -9.37
Similarity Score:
60.00%
Best Match:
CHEMBL209254
Prediction Result:
N/A

5HT2C_HUMAN

Docking Scores:
-9.08 -9.70
Similarity Score:
60.00%
Best Match:
CHEMBL209254
Prediction Result:
N/A

5HT4R_HUMAN

Docking Scores:
-10.38 -9.37 -9.36
Similarity Score:
37.41%
Best Match:
CHEMBL539651
Prediction Result:
Active52.02%

5HT5A_HUMAN

Docking Scores:
-9.43 -8.58 -9.18
Similarity Score:
46.73%
Best Match:
CHEMBL3764335
Prediction Result:
Active50.86%

5HT6R_HUMAN

Docking Scores:
-9.01 -9.38 -8.45
Similarity Score:
77.78%
Best Match:
CHEMBL4639203
Prediction Result:
Active98.92%

5HT7R_HUMAN

Docking Scores:
-9.48 -9.70 -8.67
Similarity Score:
100.00%
Best Match:
CHEMBL2028019
Prediction Result:
Active99.99%

AA1R_HUMAN

Docking Scores:
-8.28 -9.08 -7.96
Similarity Score:
30.43%
Best Match:
CHEMBL329774
Prediction Result:
N/A

AA2AR_HUMAN

Docking Scores:
-8.95 -9.25 -8.59
Similarity Score:
34.23%
Best Match:
CHEMBL539454
Prediction Result:
N/A

AA2BR_HUMAN

Docking Scores:
-8.65 -9.98 -8.50
Similarity Score:
32.61%
Best Match:
CHEMBL4441276
Prediction Result:
Inactive53.95%

AA3R_HUMAN

Docking Scores:
-2.82 -1.89 -6.67
Similarity Score:
30.98%
Best Match:
CHEMBL4460114
Prediction Result:
Inactive99.99%

ACM1_HUMAN

Docking Scores:
-8.57 6.28
Similarity Score:
70.79%
Best Match:
CHEMBL256202
Prediction Result:
N/A

ACM2_HUMAN

Docking Scores:
-9.52 -8.74 -6.13
Similarity Score:
44.74%
Best Match:
CHEMBL310132
Prediction Result:
Active68.29%

ACM3_HUMAN

Docking Scores:
-9.24 -10.06 -9.62
Similarity Score:
49.52%
Best Match:
CHEMBL1094003
Prediction Result:
Active65.06%

ACM4_HUMAN

Docking Scores:
-7.16 -7.79
Similarity Score:
38.02%
Best Match:
CHEMBL728
Prediction Result:
N/A

ACM5_HUMAN

Docking Scores:
-9.70 -10.42 -9.29
Similarity Score:
43.80%
Best Match:
CHEMBL1090094
Prediction Result:
Active78.77%

ACTHR_HUMAN

Docking Scores:
-9.43 -9.60 -7.70
Similarity Score:
N/A
Best Match:
N/A
Prediction Result:
N/A

ADA1D_HUMAN

Docking Scores:
-9.01 -8.31 -9.13
Similarity Score:
73.91%
Best Match:
CHEMBL56438
Prediction Result:
Active86.03%

ADA2A_HUMAN

Docking Scores:
2.98 4.62 4.61
Similarity Score:
45.61%
Best Match:
CHEMBL1221593
Prediction Result:
Inactive99.99%

ADA2B_HUMAN

Docking Scores:
-9.67 -8.11 -7.17
Similarity Score:
40.38%
Best Match:
CHEMBL51358
Prediction Result:
Active62.86%

ADA2C_HUMAN

Docking Scores:
2.50 6.87 10.71
Similarity Score:
42.96%
Best Match:
CHEMBL1112
Prediction Result:
Inactive99.99%

ADRB1_HUMAN

Docking Scores:
-9.70 -9.73 -9.26
Similarity Score:
61.54%
Best Match:
CHEMBL1424807
Prediction Result:
Active86.61%

ADRB2_HUMAN

Docking Scores:
-8.20 -8.89 -9.26
Similarity Score:
54.95%
Best Match:
CHEMBL417709
Prediction Result:
N/A

ADRB3_HUMAN

Docking Scores:
-9.87 -10.24 -9.72
Similarity Score:
39.45%
Best Match:
CHEMBL155072
Prediction Result:
N/A

AGTR2_HUMAN

Docking Scores:
-8.86 -9.19 -8.81
Similarity Score:
38.21%
Best Match:
CHEMBL290829
Prediction Result:
N/A

BKRB2_HUMAN

Docking Scores:
-10.03 -10.08 -10.06
Similarity Score:
52.25%
Best Match:
CHEMBL110652
Prediction Result:
Active89.32%

CALCR_HUMAN

Docking Scores:
-8.18 -8.25 -8.39
Similarity Score:
30.95%
Best Match:
CHEMBL4462020
Prediction Result:
Inactive98.39%

CCKAR_HUMAN

Docking Scores:
-7.99 -7.97 -8.63
Similarity Score:
45.74%
Best Match:
CHEMBL357983
Prediction Result:
Inactive88.31%

CCR1_HUMAN

Docking Scores:
-8.25 -8.71 -8.22
Similarity Score:
61.70%
Best Match:
CHEMBL2398758
Prediction Result:
Active53.64%

CCR2_HUMAN

Docking Scores:
-8.48 -9.05 -8.31
Similarity Score:
57.84%
Best Match:
CHEMBL2036748
Prediction Result:
Active88.79%

CCR4_HUMAN

Docking Scores:
-7.72 -7.85 -9.10
Similarity Score:
38.31%
Best Match:
CHEMBL600805
Prediction Result:
Inactive61.18%

CCR5_HUMAN

Docking Scores:
-8.13 -7.93 -8.62
Similarity Score:
53.51%
Best Match:
CHEMBL3398002
Prediction Result:
Inactive80.89%

CLTR1_HUMAN

Docking Scores:
-8.87 -9.62 -9.28
Similarity Score:
23.28%
Best Match:
CHEMBL3342954
Prediction Result:
Inactive83.33%

CNR1_HUMAN

Docking Scores:
-8.78 -9.12 -10.19
Similarity Score:
59.26%
Best Match:
CHEMBL3799603
Prediction Result:
N/A

CNR2_HUMAN

Docking Scores:
-9.12 -9.85
Similarity Score:
51.00%
Best Match:
CHEMBL2338177
Prediction Result:
N/A

CXCR1_HUMAN

Docking Scores:
3.16
Similarity Score:
28.26%
Best Match:
CHEMBL386072
Prediction Result:
N/A

CXCR2_HUMAN

Docking Scores:
-8.44 -7.62 -7.76
Similarity Score:
40.29%
Best Match:
CHEMBL4103634
Prediction Result:
Inactive60.81%

CXCR3_HUMAN

Docking Scores:
-9.12 -9.58 -8.50
Similarity Score:
52.17%
Best Match:
CHEMBL583655
Prediction Result:
Inactive59.64%

CXCR4_HUMAN

Docking Scores:
-8.74 -7.04 -8.07
Similarity Score:
37.62%
Best Match:
CHEMBL2347625
Prediction Result:
N/A

DRD1_HUMAN

Docking Scores:
-9.12 -8.91 -9.99
Similarity Score:
51.49%
Best Match:
CHEMBL1940408
Prediction Result:
Active70.83%

DRD2_HUMAN

Docking Scores:
-8.83
Similarity Score:
100.00%
Best Match:
CHEMBL2028019
Prediction Result:
N/A

DRD3_HUMAN

Docking Scores:
-8.72
Similarity Score:
100.00%
Best Match:
CHEMBL2028019
Prediction Result:
N/A

DRD4_HUMAN

Docking Scores:
-9.72 -9.59
Similarity Score:
100.00%
Best Match:
CHEMBL2028019
Prediction Result:
N/A

DRD5_HUMAN

Docking Scores:
-8.55 -10.46 -8.98
Similarity Score:
45.00%
Best Match:
CHEMBL238718
Prediction Result:
Active69.46%

EDNRA_HUMAN

Docking Scores:
-7.71 -8.05 -7.17
Similarity Score:
33.96%
Best Match:
CHEMBL170121
Prediction Result:
Active57.36%

GABR1_HUMAN

Docking Scores:
13.56 0.63 22.57
Similarity Score:
19.33%
Best Match:
CHEMBL2391908
Prediction Result:
Inactive99.99%

GASR_HUMAN

Docking Scores:
-8.69 -8.13 -7.32
Similarity Score:
54.84%
Best Match:
CHEMBL317108
Prediction Result:
Active59.21%

GRM1_HUMAN

Docking Scores:
-9.05 -10.06 -8.29
Similarity Score:
49.52%
Best Match:
CHEMBL2397378
Prediction Result:
Active57.51%

GRM2_HUMAN

Docking Scores:
5.71 5.01 4.95
Similarity Score:
41.60%
Best Match:
CHEMBL1097052
Prediction Result:
Inactive99.99%

GRM3_HUMAN

Docking Scores:
-2.89 -3.42 -6.94
Similarity Score:
30.83%
Best Match:
CHEMBL4447269
Prediction Result:
Inactive99.99%

GRM4_HUMAN

Docking Scores:
5.07 6.85 10.53
Similarity Score:
51.04%
Best Match:
CHEMBL578358
Prediction Result:
Inactive99.99%

GRM5_HUMAN

Docking Scores:
-8.68 -5.83 -7.14
Similarity Score:
45.79%
Best Match:
CHEMBL1688366
Prediction Result:
N/A

GRM6_HUMAN

Docking Scores:
-1.47 -5.01 -0.91
Similarity Score:
41.74%
Best Match:
CHEMBL2418359
Prediction Result:
Inactive99.99%

GRM7_HUMAN

Docking Scores:
-3.19 0.54 -2.26
Similarity Score:
38.89%
Best Match:
CHEMBL4575681
Prediction Result:
Inactive99.99%

GRM8_HUMAN

Docking Scores:
5.35 3.29 7.88
Similarity Score:
41.74%
Best Match:
CHEMBL2418359
Prediction Result:
Inactive99.99%

HRH1_HUMAN

Docking Scores:
-8.84
Similarity Score:
47.75%
Best Match:
CHEMBL476935
Prediction Result:
N/A

HRH2_HUMAN

Docking Scores:
-10.54 -9.85 -9.74
Similarity Score:
36.81%
Best Match:
CHEMBL4562437
Prediction Result:
Active98.75%

HRH3_HUMAN

Docking Scores:
-8.17 -8.94 -8.94
Similarity Score:
75.29%
Best Match:
CHEMBL489590
Prediction Result:
Active98.43%

HRH4_HUMAN

Docking Scores:
-9.13 -8.37 -8.88
Similarity Score:
53.27%
Best Match:
CHEMBL1223683
Prediction Result:
Active79.26%

MC3R_HUMAN

Docking Scores:
-9.21 -8.87 -8.08
Similarity Score:
44.26%
Best Match:
CHEMBL1762009
Prediction Result:
Inactive52.03%

MC4R_HUMAN

Docking Scores:
-7.27 -7.25 -7.62
Similarity Score:
49.22%
Best Match:
CHEMBL197278
Prediction Result:
Inactive60.69%

MC5R_HUMAN

Docking Scores:
-5.66 -8.44 -5.02
Similarity Score:
44.26%
Best Match:
CHEMBL1762009
Prediction Result:
Inactive67.75%

MSHR_HUMAN

Docking Scores:
-8.25 -7.41 -7.96
Similarity Score:
44.26%
Best Match:
CHEMBL1762009
Prediction Result:
Inactive65.22%

NK1R_HUMAN

Docking Scores:
-8.96 -8.78 -8.85
Similarity Score:
55.17%
Best Match:
CHEMBL345866
Prediction Result:
N/A

NK2R_HUMAN

Docking Scores:
-9.13 -9.21 -9.00
Similarity Score:
44.53%
Best Match:
CHEMBL3651891
Prediction Result:
Inactive81.62%

NPBW1_HUMAN

Docking Scores:
-8.89 -8.51 -8.15
Similarity Score:
33.91%
Best Match:
CHEMBL1940354
Prediction Result:
Inactive84.10%

NPFF1_HUMAN

Docking Scores:
-8.83 -8.12 -8.31
Similarity Score:
52.89%
Best Match:
CHEMBL3361421
Prediction Result:
Active59.19%

NPSR1_HUMAN

Docking Scores:
-8.94 -9.53 -8.71
Similarity Score:
31.94%
Best Match:
CHEMBL1210177
Prediction Result:
Inactive59.18%

NPY1R_HUMAN

Docking Scores:
-10.18 -9.23 -9.45
Similarity Score:
47.17%
Best Match:
CHEMBL2046860
Prediction Result:
N/A

NPY2R_HUMAN

Docking Scores:
-7.90 -8.46 -8.16
Similarity Score:
60.00%
Best Match:
CHEMBL560914
Prediction Result:
Inactive59.35%

NPY4R_HUMAN

Docking Scores:
-8.58 -9.14 -8.70
Similarity Score:
35.38%
Best Match:
CHEMBL4456247
Prediction Result:
Inactive94.82%

NPY5R_HUMAN

Docking Scores:
-9.15 -8.73 -8.81
Similarity Score:
51.85%
Best Match:
CHEMBL255352
Prediction Result:
Active73.80%

OPRD_HUMAN

Docking Scores:
-7.82 -6.87 -8.26
Similarity Score:
46.40%
Best Match:
CHEMBL401451
Prediction Result:
N/A

OPRK_HUMAN

Docking Scores:
-9.60 -8.65 -9.09
Similarity Score:
69.23%
Best Match:
CHEMBL254154
Prediction Result:
N/A

OPRM_HUMAN

Docking Scores:
-8.80 -8.64 -7.77
Similarity Score:
51.40%
Best Match:
CHEMBL240001
Prediction Result:
Inactive56.35%

OPRX_HUMAN

Docking Scores:
-8.28 -7.89 -8.03
Similarity Score:
55.96%
Best Match:
CHEMBL1762372
Prediction Result:
N/A

PTAFR_HUMAN

Docking Scores:
-8.37 -8.32 -8.97
Similarity Score:
28.57%
Best Match:
CHEMBL345902
Prediction Result:
Inactive70.49%

TAAR1_HUMAN

Docking Scores:
-9.40 -9.70 -9.10
Similarity Score:
41.18%
Best Match:
CHEMBL1391385
Prediction Result:
Inactive75.79%

TSHR_HUMAN

Docking Scores:
-10.35 -10.52 -10.22
Similarity Score:
34.59%
Best Match:
CHEMBL3911383
Prediction Result:
Inactive67.20%

V1AR_HUMAN

Docking Scores:
-8.31 -8.52 -8.98
Similarity Score:
43.80%
Best Match:
CHEMBL318392
Prediction Result:
Inactive62.30%

VIPR1_HUMAN

Docking Scores:
-8.09 -7.86 -8.30
Similarity Score:
26.70%
Best Match:
CHEMBL4284839
Prediction Result:
N/A