PSPclass_Test1_Yankang #244 Output Download CSV

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

Docking Scores:
-8.16 -7.81 -8.69
Similarity Score:
51.18%
Best Match:
CHEMBL29951
Prediction Result:
Active60.04%

5HT1B_HUMAN

Docking Scores:
-9.19 -9.16 -8.17
Similarity Score:
51.18%
Best Match:
CHEMBL29951
Prediction Result:
N/A

5HT1D_HUMAN

Docking Scores:
-9.18 -8.69 -8.20
Similarity Score:
51.18%
Best Match:
CHEMBL29951
Prediction Result:
N/A

5HT1E_HUMAN

Docking Scores:
-8.65 -8.38 -8.25
Similarity Score:
24.59%
Best Match:
CHEMBL22744
Prediction Result:
Inactive73.52%

5HT1F_HUMAN

Docking Scores:
-8.99 -9.21 -9.07
Similarity Score:
25.58%
Best Match:
CHEMBL3616488
Prediction Result:
Inactive73.43%

5HT2A_HUMAN

Docking Scores:
-8.60 -9.36
Similarity Score:
49.54%
Best Match:
CHEMBL268890
Prediction Result:
N/A

5HT2B_HUMAN

Docking Scores:
-9.25 -9.09 -9.58
Similarity Score:
45.45%
Best Match:
CHEMBL2022186
Prediction Result:
N/A

5HT2C_HUMAN

Docking Scores:
-8.80 -8.49
Similarity Score:
48.18%
Best Match:
CHEMBL2022189
Prediction Result:
N/A

5HT4R_HUMAN

Docking Scores:
-9.82 -9.35 -8.85
Similarity Score:
35.56%
Best Match:
CHEMBL571799
Prediction Result:
Inactive57.63%

5HT5A_HUMAN

Docking Scores:
-8.60 -7.30 -8.01
Similarity Score:
40.48%
Best Match:
CHEMBL278751
Prediction Result:
Inactive66.83%

5HT6R_HUMAN

Docking Scores:
-8.33 -7.82 -9.05
Similarity Score:
43.83%
Best Match:
CHEMBL429023
Prediction Result:
Active66.96%

5HT7R_HUMAN

Docking Scores:
-9.01 -8.73 -8.45
Similarity Score:
42.07%
Best Match:
CHEMBL2158029
Prediction Result:
Active58.86%

AA1R_HUMAN

Docking Scores:
-8.91 -8.76 -8.50
Similarity Score:
27.66%
Best Match:
CHEMBL1544
Prediction Result:
N/A

AA2AR_HUMAN

Docking Scores:
-8.35 -8.66 -9.07
Similarity Score:
27.21%
Best Match:
CHEMBL355390
Prediction Result:
N/A

AA2BR_HUMAN

Docking Scores:
-8.28 -8.39 -9.04
Similarity Score:
27.13%
Best Match:
CHEMBL3317575
Prediction Result:
Inactive56.72%

AA3R_HUMAN

Docking Scores:
-9.35 -6.37 -9.16
Similarity Score:
47.62%
Best Match:
CHEMBL513389
Prediction Result:
Active57.66%

ACM1_HUMAN

Docking Scores:
-8.90 -2.48
Similarity Score:
44.09%
Best Match:
CHEMBL343236
Prediction Result:
N/A

ACM2_HUMAN

Docking Scores:
-9.51 -8.72 -10.52
Similarity Score:
44.09%
Best Match:
CHEMBL343236
Prediction Result:
Active56.80%

ACM3_HUMAN

Docking Scores:
-8.44 -9.97 -9.23
Similarity Score:
41.60%
Best Match:
CHEMBL3085495
Prediction Result:
Active50.42%

ACM4_HUMAN

Docking Scores:
-9.01 -8.51
Similarity Score:
41.60%
Best Match:
CHEMBL3085495
Prediction Result:
N/A

ACM5_HUMAN

Docking Scores:
-10.18 -10.30 -8.43
Similarity Score:
35.66%
Best Match:
CHEMBL490
Prediction Result:
Active74.21%

ACTHR_HUMAN

Docking Scores:
-10.67 -10.30 -9.77
Similarity Score:
N/A
Best Match:
N/A
Prediction Result:
N/A

ADA1D_HUMAN

Docking Scores:
-9.15 -8.07 -8.64
Similarity Score:
45.97%
Best Match:
CHEMBL101739
Prediction Result:
Active58.88%

ADA2A_HUMAN

Docking Scores:
-7.69 -8.78 -4.39
Similarity Score:
47.62%
Best Match:
CHEMBL513389
Prediction Result:
Inactive50.24%

ADA2B_HUMAN

Docking Scores:
-8.68 -9.24 -8.67
Similarity Score:
42.54%
Best Match:
CHEMBL179648
Prediction Result:
Active69.59%

ADA2C_HUMAN

Docking Scores:
-1.80 -1.14 -0.22
Similarity Score:
42.54%
Best Match:
CHEMBL179648
Prediction Result:
Inactive99.99%

ADRB1_HUMAN

Docking Scores:
-8.95 -9.08 -9.05
Similarity Score:
45.24%
Best Match:
CHEMBL26917
Prediction Result:
Active75.48%

ADRB2_HUMAN

Docking Scores:
-8.00 -9.88 -9.58
Similarity Score:
47.62%
Best Match:
CHEMBL513389
Prediction Result:
N/A

ADRB3_HUMAN

Docking Scores:
-9.06 -8.51 -9.06
Similarity Score:
43.07%
Best Match:
CHEMBL1201237
Prediction Result:
N/A

AGTR2_HUMAN

Docking Scores:
-8.65 -8.44 -8.55
Similarity Score:
35.48%
Best Match:
CHEMBL154057
Prediction Result:
N/A

BKRB2_HUMAN

Docking Scores:
-9.18 -8.94 -8.85
Similarity Score:
21.68%
Best Match:
CHEMBL553530
Prediction Result:
Inactive88.31%

CALCR_HUMAN

Docking Scores:
-7.85 -8.62 -8.12
Similarity Score:
18.18%
Best Match:
CHEMBL2369897
Prediction Result:
Inactive98.85%

CCKAR_HUMAN

Docking Scores:
-9.25 -8.36 -8.68
Similarity Score:
25.00%
Best Match:
CHEMBL250974
Prediction Result:
Inactive80.28%

CCR1_HUMAN

Docking Scores:
-7.95 -8.20 -9.04
Similarity Score:
35.29%
Best Match:
CHEMBL2391795
Prediction Result:
Inactive82.83%

CCR2_HUMAN

Docking Scores:
-8.04 -8.50 -7.96
Similarity Score:
47.01%
Best Match:
CHEMBL3754764
Prediction Result:
Inactive52.26%

CCR4_HUMAN

Docking Scores:
-7.81 -7.30 -7.88
Similarity Score:
32.21%
Best Match:
CHEMBL1907216
Prediction Result:
Inactive62.01%

CCR5_HUMAN

Docking Scores:
-8.22 -8.55 -8.27
Similarity Score:
32.96%
Best Match:
CHEMBL2281967
Prediction Result:
Inactive90.81%

CLTR1_HUMAN

Docking Scores:
-8.51 -9.10 -10.00
Similarity Score:
40.79%
Best Match:
CHEMBL1213917
Prediction Result:
Inactive75.86%

CNR1_HUMAN

Docking Scores:
-7.64 -8.62 -9.60
Similarity Score:
100.00%
Best Match:
CHEMBL600602
Prediction Result:
N/A

CNR2_HUMAN

Docking Scores:
-10.09 -9.84
Similarity Score:
100.00%
Best Match:
CHEMBL111148
Prediction Result:
N/A

CXCR1_HUMAN

Docking Scores:
-7.81
Similarity Score:
25.00%
Best Match:
CHEMBL220182
Prediction Result:
N/A

CXCR2_HUMAN

Docking Scores:
-8.03 -7.34 -7.18
Similarity Score:
40.14%
Best Match:
CHEMBL3645131
Prediction Result:
Inactive54.90%

CXCR3_HUMAN

Docking Scores:
-8.70 -8.90 -9.19
Similarity Score:
37.65%
Best Match:
CHEMBL3697086
Prediction Result:
Inactive82.72%

CXCR4_HUMAN

Docking Scores:
-8.56 -7.88 -7.20
Similarity Score:
31.34%
Best Match:
CHEMBL126657
Prediction Result:
N/A

DRD1_HUMAN

Docking Scores:
-8.72 -8.79 -9.02
Similarity Score:
46.53%
Best Match:
CHEMBL3966718
Prediction Result:
Active70.56%

DRD2_HUMAN

Docking Scores:
-8.11
Similarity Score:
48.44%
Best Match:
CHEMBL64553
Prediction Result:
N/A

DRD3_HUMAN

Docking Scores:
-8.65
Similarity Score:
100.00%
Best Match:
CHEMBL465
Prediction Result:
N/A

DRD4_HUMAN

Docking Scores:
-8.31 -8.39
Similarity Score:
48.44%
Best Match:
CHEMBL64553
Prediction Result:
N/A

DRD5_HUMAN

Docking Scores:
-9.58 -8.81 -8.41
Similarity Score:
42.38%
Best Match:
CHEMBL217299
Prediction Result:
Active79.38%

EDNRA_HUMAN

Docking Scores:
-7.56 -7.68 -8.06
Similarity Score:
43.15%
Best Match:
CHEMBL431651
Prediction Result:
Inactive56.58%

GABR1_HUMAN

Docking Scores:
-3.01 -2.53 4.66
Similarity Score:
21.95%
Best Match:
CHEMBL2391908
Prediction Result:
Inactive99.99%

GASR_HUMAN

Docking Scores:
-8.10 -7.85 -6.86
Similarity Score:
39.67%
Best Match:
CHEMBL452991
Prediction Result:
Inactive73.96%

GRM1_HUMAN

Docking Scores:
-9.61 -9.84 -9.14
Similarity Score:
39.17%
Best Match:
CHEMBL254372
Prediction Result:
Active59.68%

GRM2_HUMAN

Docking Scores:
-5.22 -4.25 -4.56
Similarity Score:
45.04%
Best Match:
CHEMBL186584
Prediction Result:
Inactive99.99%

GRM3_HUMAN

Docking Scores:
-5.33 -6.71 -5.28
Similarity Score:
39.84%
Best Match:
CHEMBL341457
Prediction Result:
Inactive53.02%

GRM4_HUMAN

Docking Scores:
-0.68 -0.93 -0.72
Similarity Score:
30.92%
Best Match:
CHEMBL2063423
Prediction Result:
Inactive99.99%

GRM5_HUMAN

Docking Scores:
-9.35 -5.75 -5.53
Similarity Score:
44.35%
Best Match:
CHEMBL1682820
Prediction Result:
N/A

GRM6_HUMAN

Docking Scores:
-8.89 -9.09 -8.77
Similarity Score:
15.62%
Best Match:
CHEMBL2381641
Prediction Result:
Inactive97.95%

GRM7_HUMAN

Docking Scores:
-3.01 -1.51 -2.80
Similarity Score:
36.76%
Best Match:
CHEMBL432038
Prediction Result:
Inactive99.99%

GRM8_HUMAN

Docking Scores:
0.65 0.75 2.39
Similarity Score:
36.76%
Best Match:
CHEMBL432038
Prediction Result:
Inactive99.99%

HRH1_HUMAN

Docking Scores:
-4.63
Similarity Score:
41.60%
Best Match:
CHEMBL1101
Prediction Result:
N/A

HRH2_HUMAN

Docking Scores:
-9.14 -8.77 -8.68
Similarity Score:
38.57%
Best Match:
CHEMBL490632
Prediction Result:
Active98.54%

HRH3_HUMAN

Docking Scores:
-7.80 -9.27 -9.03
Similarity Score:
52.07%
Best Match:
CHEMBL2013048
Prediction Result:
Active69.42%

HRH4_HUMAN

Docking Scores:
-9.19 -9.12 -9.44
Similarity Score:
41.86%
Best Match:
CHEMBL1934062
Prediction Result:
Active55.35%

MC3R_HUMAN

Docking Scores:
-9.09 -8.09 -7.60
Similarity Score:
25.67%
Best Match:
CHEMBL192450
Prediction Result:
Inactive69.87%

MC4R_HUMAN

Docking Scores:
-7.46 -7.47 -7.63
Similarity Score:
36.17%
Best Match:
CHEMBL578944
Prediction Result:
Inactive83.33%

MC5R_HUMAN

Docking Scores:
-6.42 -7.80 -5.42
Similarity Score:
26.06%
Best Match:
CHEMBL3913861
Prediction Result:
Inactive87.13%

MSHR_HUMAN

Docking Scores:
-8.65 -8.61 -8.40
Similarity Score:
28.29%
Best Match:
CHEMBL442537
Prediction Result:
Inactive77.20%

NK1R_HUMAN

Docking Scores:
-8.17 -8.51 -7.78
Similarity Score:
40.91%
Best Match:
CHEMBL2112368
Prediction Result:
N/A

NK2R_HUMAN

Docking Scores:
-8.54 -8.17 -8.22
Similarity Score:
33.08%
Best Match:
CHEMBL221753
Prediction Result:
Inactive95.98%

NPBW1_HUMAN

Docking Scores:
-7.82 -7.13 -7.76
Similarity Score:
25.89%
Best Match:
CHEMBL2001553
Prediction Result:
Inactive92.34%

NPFF1_HUMAN

Docking Scores:
-8.22 -8.04 -7.78
Similarity Score:
23.43%
Best Match:
CHEMBL2208334
Prediction Result:
Inactive72.01%

NPSR1_HUMAN

Docking Scores:
-8.99 -9.76 -8.54
Similarity Score:
30.73%
Best Match:
CHEMBL1801359
Prediction Result:
Inactive58.33%

NPY1R_HUMAN

Docking Scores:
-9.24 -8.84 -8.78
Similarity Score:
40.19%
Best Match:
CHEMBL3559801
Prediction Result:
N/A

NPY2R_HUMAN

Docking Scores:
-8.26 -8.11 -7.95
Similarity Score:
40.19%
Best Match:
CHEMBL3559801
Prediction Result:
Inactive94.45%

NPY4R_HUMAN

Docking Scores:
-8.54 -8.73 -8.14
Similarity Score:
40.19%
Best Match:
CHEMBL3559801
Prediction Result:
Inactive83.66%

NPY5R_HUMAN

Docking Scores:
-7.96 -7.85 -8.01
Similarity Score:
61.54%
Best Match:
CHEMBL469257
Prediction Result:
Active93.46%

OPRD_HUMAN

Docking Scores:
-8.84 -7.10 -7.43
Similarity Score:
49.11%
Best Match:
CHEMBL410907
Prediction Result:
N/A

OPRK_HUMAN

Docking Scores:
-9.48 -8.81 -8.28
Similarity Score:
49.11%
Best Match:
CHEMBL410907
Prediction Result:
N/A

OPRM_HUMAN

Docking Scores:
-9.41 -6.94 -8.54
Similarity Score:
49.11%
Best Match:
CHEMBL410907
Prediction Result:
Inactive61.36%

OPRX_HUMAN

Docking Scores:
-8.21 -8.33 -9.02
Similarity Score:
44.27%
Best Match:
CHEMBL3262362
Prediction Result:
N/A

PTAFR_HUMAN

Docking Scores:
-8.31 -9.23 -8.49
Similarity Score:
43.80%
Best Match:
CHEMBL297624
Prediction Result:
Active59.37%

TAAR1_HUMAN

Docking Scores:
-9.40 -9.37 -9.65
Similarity Score:
38.12%
Best Match:
CHEMBL1732597
Prediction Result:
Inactive67.15%

TSHR_HUMAN

Docking Scores:
-10.18 -10.03 -10.32
Similarity Score:
23.35%
Best Match:
CHEMBL3897841
Prediction Result:
Inactive81.87%

V1AR_HUMAN

Docking Scores:
-8.45 -7.71 -9.06
Similarity Score:
33.72%
Best Match:
CHEMBL430676
Prediction Result:
Inactive89.28%

VIPR1_HUMAN

Docking Scores:
-8.74 -8.97 -8.47
Similarity Score:
18.06%
Best Match:
CHEMBL483749
Prediction Result:
N/A