name #456 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

5HT1A_HUMAN

Docking Scores:
-8.32 -7.88 -8.65
Similarity Score:
51.18%
Best Match:
CHEMBL29951
Prediction Result:
Active61.99%

5HT1B_HUMAN

Docking Scores:
-9.15 -9.14 -8.18
Similarity Score:
51.18%
Best Match:
CHEMBL29951
Prediction Result:
N/A

5HT1D_HUMAN

Docking Scores:
-9.30 -8.94 -7.98
Similarity Score:
51.18%
Best Match:
CHEMBL29951
Prediction Result:
N/A

5HT1E_HUMAN

Docking Scores:
-8.69 -8.39 -8.27
Similarity Score:
24.59%
Best Match:
CHEMBL22744
Prediction Result:
Inactive73.66%

5HT1F_HUMAN

Docking Scores:
-8.94 -9.05 -9.05
Similarity Score:
25.58%
Best Match:
CHEMBL3616488
Prediction Result:
Inactive72.89%

5HT2A_HUMAN

Docking Scores:
-8.74 -9.39
Similarity Score:
49.54%
Best Match:
CHEMBL268890
Prediction Result:
N/A

5HT2B_HUMAN

Docking Scores:
-9.27 -9.10 -9.21
Similarity Score:
53.51%
Best Match:
CHEMBL4458099
Prediction Result:
N/A

5HT2C_HUMAN

Docking Scores:
-8.73 -8.45
Similarity Score:
48.18%
Best Match:
CHEMBL2022193
Prediction Result:
N/A

5HT4R_HUMAN

Docking Scores:
-9.93 -9.25 -8.82
Similarity Score:
35.56%
Best Match:
CHEMBL571799
Prediction Result:
Inactive52.91%

5HT5A_HUMAN

Docking Scores:
-8.75 -7.36 -8.12
Similarity Score:
40.48%
Best Match:
CHEMBL278751
Prediction Result:
Inactive67.28%

5HT6R_HUMAN

Docking Scores:
-8.35 -8.25 -9.16
Similarity Score:
43.83%
Best Match:
CHEMBL429023
Prediction Result:
Active71.01%

5HT7R_HUMAN

Docking Scores:
-8.60 -8.71 -8.32
Similarity Score:
48.67%
Best Match:
CHEMBL4513930
Prediction Result:
Active55.47%

AA1R_HUMAN

Docking Scores:
-8.73 -8.69 -8.43
Similarity Score:
35.40%
Best Match:
CHEMBL1269107
Prediction Result:
N/A

AA2AR_HUMAN

Docking Scores:
-8.33 -8.51 -9.15
Similarity Score:
27.21%
Best Match:
CHEMBL355390
Prediction Result:
N/A

AA2BR_HUMAN

Docking Scores:
-8.29 -8.58 -9.02
Similarity Score:
27.13%
Best Match:
CHEMBL3317575
Prediction Result:
Inactive59.57%

AA3R_HUMAN

Docking Scores:
-9.30 -6.68 -9.17
Similarity Score:
32.22%
Best Match:
CHEMBL2203622
Prediction Result:
Inactive69.99%

ACM1_HUMAN

Docking Scores:
-8.63 -2.16
Similarity Score:
44.09%
Best Match:
CHEMBL343236
Prediction Result:
N/A

ACM2_HUMAN

Docking Scores:
-9.55 -8.69 -10.43
Similarity Score:
44.09%
Best Match:
CHEMBL343236
Prediction Result:
Active56.10%

ACM3_HUMAN

Docking Scores:
-8.29 -9.89 -9.26
Similarity Score:
41.60%
Best Match:
CHEMBL1101
Prediction Result:
Active50.51%

ACM4_HUMAN

Docking Scores:
-8.85 -8.41
Similarity Score:
41.60%
Best Match:
CHEMBL1101
Prediction Result:
N/A

ACM5_HUMAN

Docking Scores:
-10.19 -10.33 -8.53
Similarity Score:
35.66%
Best Match:
CHEMBL490
Prediction Result:
Active74.27%

ACTHR_HUMAN

Docking Scores:
-10.75 -10.18 -9.72
Similarity Score:
N/A
Best Match:
N/A
Prediction Result:
N/A

ADA1D_HUMAN

Docking Scores:
-9.11 -8.38 -9.22
Similarity Score:
45.97%
Best Match:
CHEMBL101739
Prediction Result:
Active60.97%

ADA2A_HUMAN

Docking Scores:
-7.68 -8.80 -4.08
Similarity Score:
47.62%
Best Match:
CHEMBL513389
Prediction Result:
Inactive99.99%

ADA2B_HUMAN

Docking Scores:
-8.60 -9.47 -8.69
Similarity Score:
42.54%
Best Match:
CHEMBL179648
Prediction Result:
Active71.37%

ADA2C_HUMAN

Docking Scores:
-1.67 -1.11 0.11
Similarity Score:
42.54%
Best Match:
CHEMBL179648
Prediction Result:
Inactive99.99%

ADRB1_HUMAN

Docking Scores:
-9.12 -8.98 -8.98
Similarity Score:
45.76%
Best Match:
CHEMBL4473518
Prediction Result:
Active68.42%

ADRB2_HUMAN

Docking Scores:
-8.58 -9.95 -9.58
Similarity Score:
47.62%
Best Match:
CHEMBL513389
Prediction Result:
N/A

ADRB3_HUMAN

Docking Scores:
-9.05 -8.62 -9.07
Similarity Score:
43.07%
Best Match:
CHEMBL1201237
Prediction Result:
N/A

AGTR2_HUMAN

Docking Scores:
-8.77 -8.43 -8.70
Similarity Score:
35.48%
Best Match:
CHEMBL154057
Prediction Result:
N/A

BKRB2_HUMAN

Docking Scores:
-9.25 -8.96 -8.83
Similarity Score:
21.68%
Best Match:
CHEMBL553530
Prediction Result:
Inactive88.32%

CALCR_HUMAN

Docking Scores:
-7.77 -8.48 -8.17
Similarity Score:
19.62%
Best Match:
CHEMBL4575327
Prediction Result:
Inactive98.76%

CCKAR_HUMAN

Docking Scores:
-9.30 -8.41 -8.75
Similarity Score:
25.00%
Best Match:
CHEMBL250974
Prediction Result:
Inactive84.60%

CCR1_HUMAN

Docking Scores:
-7.99 -8.44 -8.94
Similarity Score:
35.29%
Best Match:
CHEMBL2391795
Prediction Result:
Inactive80.74%

CCR2_HUMAN

Docking Scores:
-8.04 -8.41 -7.89
Similarity Score:
47.01%
Best Match:
CHEMBL3754764
Prediction Result:
Inactive52.22%

CCR4_HUMAN

Docking Scores:
-8.03 -7.26 -7.95
Similarity Score:
32.21%
Best Match:
CHEMBL1907216
Prediction Result:
Inactive51.49%

CCR5_HUMAN

Docking Scores:
-8.30 -8.48 -8.57
Similarity Score:
32.96%
Best Match:
CHEMBL2281967
Prediction Result:
Inactive93.78%

CLTR1_HUMAN

Docking Scores:
-8.60 -9.05 -9.80
Similarity Score:
40.79%
Best Match:
CHEMBL1213917
Prediction Result:
Inactive80.84%

CNR1_HUMAN

Docking Scores:
-8.39 -9.43 -9.64
Similarity Score:
100.00%
Best Match:
CHEMBL465
Prediction Result:
N/A

CNR2_HUMAN

Docking Scores:
-10.12 -9.90
Similarity Score:
100.00%
Best Match:
CHEMBL465
Prediction Result:
N/A

CXCR1_HUMAN

Docking Scores:
-7.52
Similarity Score:
25.00%
Best Match:
CHEMBL220182
Prediction Result:
N/A

CXCR2_HUMAN

Docking Scores:
-7.96 -7.38 -6.92
Similarity Score:
40.14%
Best Match:
CHEMBL3645131
Prediction Result:
Inactive53.16%

CXCR3_HUMAN

Docking Scores:
-8.70 -8.74 -8.74
Similarity Score:
37.65%
Best Match:
CHEMBL3697086
Prediction Result:
Inactive87.78%

CXCR4_HUMAN

Docking Scores:
-8.56 -7.90 -7.37
Similarity Score:
33.33%
Best Match:
CHEMBL4440964
Prediction Result:
N/A

DRD1_HUMAN

Docking Scores:
-8.80 -8.71 -9.01
Similarity Score:
46.53%
Best Match:
CHEMBL3966718
Prediction Result:
Active70.73%

DRD2_HUMAN

Docking Scores:
-8.14
Similarity Score:
48.44%
Best Match:
CHEMBL64553
Prediction Result:
N/A

DRD3_HUMAN

Docking Scores:
-8.64
Similarity Score:
100.00%
Best Match:
CHEMBL465
Prediction Result:
N/A

DRD4_HUMAN

Docking Scores:
-8.40 -8.37
Similarity Score:
48.44%
Best Match:
CHEMBL64553
Prediction Result:
N/A

DRD5_HUMAN

Docking Scores:
-9.69 -8.73 -8.30
Similarity Score:
42.38%
Best Match:
CHEMBL217299
Prediction Result:
Active78.39%

EDNRA_HUMAN

Docking Scores:
-7.76 -7.73 -8.00
Similarity Score:
43.15%
Best Match:
CHEMBL431651
Prediction Result:
Inactive54.26%

GABR1_HUMAN

Docking Scores:
-2.85 -2.40 3.85
Similarity Score:
21.95%
Best Match:
CHEMBL2391908
Prediction Result:
Inactive99.99%

GASR_HUMAN

Docking Scores:
-8.09 -7.78 -7.00
Similarity Score:
39.67%
Best Match:
CHEMBL452991
Prediction Result:
Inactive74.57%

GRM1_HUMAN

Docking Scores:
-9.66 -9.65 -9.23
Similarity Score:
39.17%
Best Match:
CHEMBL254372
Prediction Result:
Active59.29%

GRM2_HUMAN

Docking Scores:
-5.55 -4.32 -4.78
Similarity Score:
45.04%
Best Match:
CHEMBL186584
Prediction Result:
Active60.08%

GRM3_HUMAN

Docking Scores:
-5.34 -6.63 -5.50
Similarity Score:
39.84%
Best Match:
CHEMBL341457
Prediction Result:
Inactive70.92%

GRM4_HUMAN

Docking Scores:
-0.33 -0.55 -0.51
Similarity Score:
30.92%
Best Match:
CHEMBL2063423
Prediction Result:
Inactive99.99%

GRM5_HUMAN

Docking Scores:
-9.16 -6.08 -5.61
Similarity Score:
44.35%
Best Match:
CHEMBL1682820
Prediction Result:
N/A

GRM6_HUMAN

Docking Scores:
-9.06 -8.99 -8.73
Similarity Score:
15.62%
Best Match:
CHEMBL2381641
Prediction Result:
Inactive97.87%

GRM7_HUMAN

Docking Scores:
-3.02 -1.83 -2.32
Similarity Score:
36.76%
Best Match:
CHEMBL432038
Prediction Result:
Inactive99.99%

GRM8_HUMAN

Docking Scores:
0.13 0.32 2.05
Similarity Score:
36.76%
Best Match:
CHEMBL432038
Prediction Result:
Inactive99.99%

HRH1_HUMAN

Docking Scores:
-4.86
Similarity Score:
41.60%
Best Match:
CHEMBL1101
Prediction Result:
N/A

HRH2_HUMAN

Docking Scores:
-9.00 -8.79 -8.51
Similarity Score:
38.57%
Best Match:
CHEMBL490632
Prediction Result:
Active98.08%

HRH3_HUMAN

Docking Scores:
-7.95 -9.27 -9.10
Similarity Score:
52.07%
Best Match:
CHEMBL2013048
Prediction Result:
Active68.44%

HRH4_HUMAN

Docking Scores:
-9.34 -9.17 -9.42
Similarity Score:
34.21%
Best Match:
CHEMBL4063170
Prediction Result:
Inactive58.17%

MC3R_HUMAN

Docking Scores:
-9.03 -8.03 -7.40
Similarity Score:
25.67%
Best Match:
CHEMBL192450
Prediction Result:
Inactive68.61%

MC4R_HUMAN

Docking Scores:
-7.49 -7.46 -7.57
Similarity Score:
36.17%
Best Match:
CHEMBL578944
Prediction Result:
Inactive86.92%

MC5R_HUMAN

Docking Scores:
-6.55 -7.48 -5.36
Similarity Score:
26.06%
Best Match:
CHEMBL3913861
Prediction Result:
Inactive86.50%

MSHR_HUMAN

Docking Scores:
-8.57 -8.46 -9.26
Similarity Score:
28.29%
Best Match:
CHEMBL442537
Prediction Result:
Inactive67.45%

NK1R_HUMAN

Docking Scores:
-8.08 -8.33 -7.42
Similarity Score:
40.91%
Best Match:
CHEMBL2112368
Prediction Result:
N/A

NK2R_HUMAN

Docking Scores:
-8.53 -8.16 -8.17
Similarity Score:
33.08%
Best Match:
CHEMBL221753
Prediction Result:
Inactive95.66%

NPBW1_HUMAN

Docking Scores:
-7.73 -7.10 -7.73
Similarity Score:
25.89%
Best Match:
CHEMBL2001553
Prediction Result:
Inactive92.70%

NPFF1_HUMAN

Docking Scores:
-8.38 -8.00 -8.09
Similarity Score:
23.43%
Best Match:
CHEMBL2208334
Prediction Result:
Inactive76.72%

NPSR1_HUMAN

Docking Scores:
-8.97 -9.67 -8.52
Similarity Score:
30.73%
Best Match:
CHEMBL1801359
Prediction Result:
Inactive58.75%

NPY1R_HUMAN

Docking Scores:
-9.64 -9.10 -8.97
Similarity Score:
40.19%
Best Match:
CHEMBL3559801
Prediction Result:
N/A

NPY2R_HUMAN

Docking Scores:
-8.14 -7.95 -7.93
Similarity Score:
40.19%
Best Match:
CHEMBL3559801
Prediction Result:
Inactive95.31%

NPY4R_HUMAN

Docking Scores:
-8.59 -8.64 -8.32
Similarity Score:
40.19%
Best Match:
CHEMBL3559801
Prediction Result:
Inactive83.43%

NPY5R_HUMAN

Docking Scores:
-8.06 -7.79 -7.73
Similarity Score:
61.54%
Best Match:
CHEMBL469257
Prediction Result:
Active91.96%

OPRD_HUMAN

Docking Scores:
-8.84 -7.11 -6.92
Similarity Score:
49.11%
Best Match:
CHEMBL410907
Prediction Result:
N/A

OPRK_HUMAN

Docking Scores:
-9.46 -8.82 -8.44
Similarity Score:
49.11%
Best Match:
CHEMBL410907
Prediction Result:
N/A

OPRM_HUMAN

Docking Scores:
-9.41 -8.31 -8.35
Similarity Score:
49.11%
Best Match:
CHEMBL410907
Prediction Result:
Active50.44%

OPRX_HUMAN

Docking Scores:
-7.50 -8.28 -8.91
Similarity Score:
44.27%
Best Match:
CHEMBL3262362
Prediction Result:
N/A

PTAFR_HUMAN

Docking Scores:
-8.30 -9.24 -8.27
Similarity Score:
43.80%
Best Match:
CHEMBL297624
Prediction Result:
Active59.92%

TAAR1_HUMAN

Docking Scores:
-9.35 -9.48 -9.65
Similarity Score:
38.12%
Best Match:
CHEMBL1732597
Prediction Result:
Inactive70.80%

TSHR_HUMAN

Docking Scores:
-10.12 -10.09 -10.23
Similarity Score:
23.35%
Best Match:
CHEMBL3897841
Prediction Result:
Inactive82.08%

V1AR_HUMAN

Docking Scores:
-8.68 -7.55 -9.09
Similarity Score:
33.72%
Best Match:
CHEMBL430676
Prediction Result:
Inactive88.18%

VIPR1_HUMAN

Docking Scores:
-8.73 -8.99 -8.23
Similarity Score:
18.45%
Best Match:
CHEMBL4291903
Prediction Result:
N/A