1 #585 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

5HT1A_HUMAN

Docking Scores:
-1.99 -1.49 -1.78
Similarity Score:
1.54%
Best Match:
CHEMBL286006
Prediction Result:
Inactive99.99%

5HT1B_HUMAN

Docking Scores:
-1.96 -1.93 -2.05
Similarity Score:
1.28%
Best Match:
CHEMBL3752900
Prediction Result:
N/A

5HT1D_HUMAN

Docking Scores:
-1.87 -1.77 -2.18
Similarity Score:
1.47%
Best Match:
CHEMBL3752576
Prediction Result:
N/A

5HT1E_HUMAN

Docking Scores:
-1.92 -2.09 -2.22
Similarity Score:
1.47%
Best Match:
CHEMBL3752576
Prediction Result:
Inactive99.99%

5HT1F_HUMAN

Docking Scores:
-1.91 -2.34 -1.92
Similarity Score:
1.14%
Best Match:
CHEMBL125745
Prediction Result:
Inactive99.99%

5HT2A_HUMAN

Docking Scores:
-2.20 -1.81
Similarity Score:
2.08%
Best Match:
CHEMBL454288
Prediction Result:
N/A

5HT2B_HUMAN

Docking Scores:
-1.56 -1.86 -1.74
Similarity Score:
2.50%
Best Match:
CHEMBL547
Prediction Result:
N/A

5HT2C_HUMAN

Docking Scores:
-2.13 -2.10
Similarity Score:
1.75%
Best Match:
CHEMBL202324
Prediction Result:
N/A

5HT4R_HUMAN

Docking Scores:
-2.12 -1.91 -1.89
Similarity Score:
1.18%
Best Match:
CHEMBL86
Prediction Result:
Inactive99.99%

5HT5A_HUMAN

Docking Scores:
-2.20 -2.20 -1.67
Similarity Score:
1.06%
Best Match:
CHEMBL188486
Prediction Result:
Inactive99.99%

5HT6R_HUMAN

Docking Scores:
-1.57 -1.84 -1.90
Similarity Score:
1.64%
Best Match:
CHEMBL193376
Prediction Result:
Inactive99.99%

5HT7R_HUMAN

Docking Scores:
-2.01 -1.96 -1.90
Similarity Score:
1.41%
Best Match:
CHEMBL516
Prediction Result:
Inactive99.99%

AA1R_HUMAN

Docking Scores:
-2.21 -1.67 -1.74
Similarity Score:
2.78%
Best Match:
CHEMBL3314905
Prediction Result:
N/A

AA2AR_HUMAN

Docking Scores:
-1.87 -1.84 -1.63
Similarity Score:
2.78%
Best Match:
CHEMBL3314905
Prediction Result:
N/A

AA2BR_HUMAN

Docking Scores:
-2.02 -1.89 -1.94
Similarity Score:
1.27%
Best Match:
CHEMBL66899
Prediction Result:
Inactive99.99%

AA3R_HUMAN

Docking Scores:
-1.82 -2.03 -1.78
Similarity Score:
2.78%
Best Match:
CHEMBL3314905
Prediction Result:
Inactive99.99%

ACM1_HUMAN

Docking Scores:
-1.85 -2.07
Similarity Score:
1.82%
Best Match:
CHEMBL151938
Prediction Result:
N/A

ACM2_HUMAN

Docking Scores:
-2.01 -1.88 -1.84
Similarity Score:
3.70%
Best Match:
CHEMBL1200623
Prediction Result:
Inactive99.99%

ACM3_HUMAN

Docking Scores:
-2.07 -1.90 -2.14
Similarity Score:
1.82%
Best Match:
CHEMBL268808
Prediction Result:
Inactive99.99%

ACM4_HUMAN

Docking Scores:
-1.82 -1.85
Similarity Score:
1.72%
Best Match:
CHEMBL27673
Prediction Result:
N/A

ACM5_HUMAN

Docking Scores:
-2.09 -2.11 -1.92
Similarity Score:
1.72%
Best Match:
CHEMBL27673
Prediction Result:
Inactive99.99%

ACTHR_HUMAN

Docking Scores:
-2.51 -2.42 -2.32
Similarity Score:
N/A
Best Match:
N/A
Prediction Result:
N/A

ADA1D_HUMAN

Docking Scores:
-1.96 -2.05 -2.37
Similarity Score:
1.64%
Best Match:
CHEMBL43064
Prediction Result:
Inactive99.99%

ADA2A_HUMAN

Docking Scores:
-1.87 -1.75 -1.80
Similarity Score:
2.33%
Best Match:
CHEMBL191703
Prediction Result:
Inactive99.99%

ADA2B_HUMAN

Docking Scores:
-1.87 -1.91 -1.94
Similarity Score:
1.49%
Best Match:
CHEMBL196
Prediction Result:
Inactive99.99%

ADA2C_HUMAN

Docking Scores:
-2.01 -2.06 -1.94
Similarity Score:
2.33%
Best Match:
CHEMBL191703
Prediction Result:
Inactive99.99%

ADRB1_HUMAN

Docking Scores:
-2.12 -1.63 -1.70
Similarity Score:
1.69%
Best Match:
CHEMBL1621144
Prediction Result:
Inactive99.99%

ADRB2_HUMAN

Docking Scores:
-1.80 -1.95 -1.82
Similarity Score:
1.69%
Best Match:
CHEMBL1621144
Prediction Result:
N/A

ADRB3_HUMAN

Docking Scores:
-1.99 -1.87 -2.03
Similarity Score:
1.05%
Best Match:
CHEMBL1200811
Prediction Result:
N/A

AGTR2_HUMAN

Docking Scores:
-2.30 -2.35 -2.34
Similarity Score:
0.57%
Best Match:
CHEMBL385714
Prediction Result:
N/A

BKRB2_HUMAN

Docking Scores:
-1.89 -2.00 -2.11
Similarity Score:
0.79%
Best Match:
CHEMBL1162797
Prediction Result:
Inactive99.99%

CALCR_HUMAN

Docking Scores:
-1.93 -2.02 -1.98
Similarity Score:
0.00%
Best Match:
CHEMBL4473161
Prediction Result:
Inactive99.99%

CCKAR_HUMAN

Docking Scores:
-2.12 -1.88 -1.84
Similarity Score:
0.57%
Best Match:
CHEMBL479063
Prediction Result:
Inactive99.99%

CCR1_HUMAN

Docking Scores:
-1.72 -1.90 -1.97
Similarity Score:
1.05%
Best Match:
CHEMBL33104
Prediction Result:
Inactive99.99%

CCR2_HUMAN

Docking Scores:
-2.00 -2.03 -2.01
Similarity Score:
1.39%
Best Match:
CHEMBL3753178
Prediction Result:
Inactive99.99%

CCR4_HUMAN

Docking Scores:
-1.72 -1.57 -1.97
Similarity Score:
1.43%
Best Match:
CHEMBL1618631
Prediction Result:
Inactive99.99%

CCR5_HUMAN

Docking Scores:
-2.23 -2.18 -2.16
Similarity Score:
1.33%
Best Match:
CHEMBL234461
Prediction Result:
Inactive99.99%

CLTR1_HUMAN

Docking Scores:
-2.08 -1.91 -2.19
Similarity Score:
0.93%
Best Match:
CHEMBL11793
Prediction Result:
Inactive99.99%

CNR1_HUMAN

Docking Scores:
-2.03 -2.10 -2.21
Similarity Score:
2.50%
Best Match:
CHEMBL146346
Prediction Result:
N/A

CNR2_HUMAN

Docking Scores:
-1.92 -1.87
Similarity Score:
4.76%
Best Match:
CHEMBL3360190
Prediction Result:
N/A

CXCR1_HUMAN

Docking Scores:
-2.04
Similarity Score:
0.81%
Best Match:
CHEMBL464302
Prediction Result:
N/A

CXCR2_HUMAN

Docking Scores:
-2.12 -1.77 -1.78
Similarity Score:
1.15%
Best Match:
CHEMBL535818
Prediction Result:
Inactive99.99%

CXCR3_HUMAN

Docking Scores:
-1.87 -1.66 -1.74
Similarity Score:
1.45%
Best Match:
CHEMBL2205705
Prediction Result:
Inactive99.99%

CXCR4_HUMAN

Docking Scores:
-2.17 -1.54 -1.80
Similarity Score:
1.67%
Best Match:
CHEMBL4539571
Prediction Result:
N/A

DRD1_HUMAN

Docking Scores:
-2.06 -1.63 -1.92
Similarity Score:
1.59%
Best Match:
CHEMBL534678
Prediction Result:
Inactive99.99%

DRD2_HUMAN

Docking Scores:
-2.17
Similarity Score:
1.92%
Best Match:
CHEMBL162762
Prediction Result:
N/A

DRD3_HUMAN

Docking Scores:
-1.81
Similarity Score:
1.92%
Best Match:
CHEMBL162762
Prediction Result:
N/A

DRD4_HUMAN

Docking Scores:
-1.76 -2.04
Similarity Score:
1.92%
Best Match:
CHEMBL162762
Prediction Result:
N/A

DRD5_HUMAN

Docking Scores:
-2.13 -2.65 -1.90
Similarity Score:
1.47%
Best Match:
CHEMBL629
Prediction Result:
Inactive99.99%

EDNRA_HUMAN

Docking Scores:
-2.01 -2.06 -2.05
Similarity Score:
0.93%
Best Match:
CHEMBL430572
Prediction Result:
Inactive99.99%

GABR1_HUMAN

Docking Scores:
-1.86 -2.02 -2.29
Similarity Score:
0.00%
Best Match:
CHEMBL2391908
Prediction Result:
Inactive99.99%

GASR_HUMAN

Docking Scores:
-2.27 -2.01 -1.59
Similarity Score:
0.72%
Best Match:
CHEMBL2112752
Prediction Result:
Inactive99.99%

GRM1_HUMAN

Docking Scores:
-1.89 -1.99 -1.95
Similarity Score:
2.86%
Best Match:
CHEMBL38499
Prediction Result:
Inactive99.99%

GRM2_HUMAN

Docking Scores:
-1.95 -2.05 -1.99
Similarity Score:
2.86%
Best Match:
CHEMBL38499
Prediction Result:
Inactive99.99%

GRM3_HUMAN

Docking Scores:
-1.96 -1.97 -1.93
Similarity Score:
2.04%
Best Match:
CHEMBL2381641
Prediction Result:
Inactive99.99%

GRM4_HUMAN

Docking Scores:
-2.17 -2.01 -2.14
Similarity Score:
1.35%
Best Match:
CHEMBL1209438
Prediction Result:
Inactive99.99%

GRM5_HUMAN

Docking Scores:
-2.06 -2.34 -2.34
Similarity Score:
1.79%
Best Match:
CHEMBL88612
Prediction Result:
N/A

GRM6_HUMAN

Docking Scores:
-1.99 -2.02 -2.04
Similarity Score:
2.04%
Best Match:
CHEMBL2381641
Prediction Result:
Inactive99.99%

GRM7_HUMAN

Docking Scores:
-1.84 -1.97 -1.83
Similarity Score:
0.70%
Best Match:
CHEMBL4168668
Prediction Result:
Inactive99.99%

GRM8_HUMAN

Docking Scores:
-1.89 -1.86 -1.99
Similarity Score:
0.63%
Best Match:
CHEMBL4446107
Prediction Result:
Inactive99.99%

HRH1_HUMAN

Docking Scores:
-2.27
Similarity Score:
1.72%
Best Match:
CHEMBL3983211
Prediction Result:
N/A

HRH2_HUMAN

Docking Scores:
-2.20 -2.35 -1.84
Similarity Score:
1.47%
Best Match:
CHEMBL629
Prediction Result:
Inactive99.99%

HRH3_HUMAN

Docking Scores:
-2.12 -1.75 -1.79
Similarity Score:
2.33%
Best Match:
CHEMBL191703
Prediction Result:
Inactive99.99%

HRH4_HUMAN

Docking Scores:
-2.03 -2.04 -1.92
Similarity Score:
1.72%
Best Match:
CHEMBL1162347
Prediction Result:
Inactive99.99%

MC3R_HUMAN

Docking Scores:
-2.19 -1.93 -1.88
Similarity Score:
1.15%
Best Match:
CHEMBL462044
Prediction Result:
Inactive99.99%

MC4R_HUMAN

Docking Scores:
-1.84 -1.80 -1.84
Similarity Score:
1.52%
Best Match:
CHEMBL371105
Prediction Result:
Inactive99.99%

MC5R_HUMAN

Docking Scores:
-1.63 -2.06 -2.41
Similarity Score:
1.14%
Best Match:
CHEMBL3919869
Prediction Result:
Inactive99.99%

MSHR_HUMAN

Docking Scores:
-2.45 -1.89 -2.82
Similarity Score:
0.74%
Best Match:
CHEMBL185868
Prediction Result:
Inactive99.99%

NK1R_HUMAN

Docking Scores:
-2.04 -1.85 -1.74
Similarity Score:
1.41%
Best Match:
CHEMBL423597
Prediction Result:
N/A

NK2R_HUMAN

Docking Scores:
-1.99 -2.02 -2.05
Similarity Score:
1.33%
Best Match:
CHEMBL64894
Prediction Result:
Inactive99.99%

NPBW1_HUMAN

Docking Scores:
-1.73 -1.73 -1.70
Similarity Score:
0.74%
Best Match:
CHEMBL2314324
Prediction Result:
Inactive99.99%

NPFF1_HUMAN

Docking Scores:
-1.68 -1.62 -2.14
Similarity Score:
0.89%
Best Match:
CHEMBL2208303
Prediction Result:
Inactive99.99%

NPSR1_HUMAN

Docking Scores:
-2.20 -2.17 -1.92
Similarity Score:
0.66%
Best Match:
CHEMBL1801359
Prediction Result:
Inactive99.99%

NPY1R_HUMAN

Docking Scores:
-1.92 -2.34 -2.01
Similarity Score:
1.04%
Best Match:
CHEMBL549377
Prediction Result:
N/A

NPY2R_HUMAN

Docking Scores:
-2.02 -1.67 -1.78
Similarity Score:
0.98%
Best Match:
CHEMBL560117
Prediction Result:
Inactive99.99%

NPY4R_HUMAN

Docking Scores:
-1.97 -1.63 -1.71
Similarity Score:
0.91%
Best Match:
CHEMBL4559081
Prediction Result:
Inactive99.99%

NPY5R_HUMAN

Docking Scores:
-1.68 -2.07 -1.79
Similarity Score:
0.88%
Best Match:
CHEMBL3084889
Prediction Result:
Inactive99.99%

OPRD_HUMAN

Docking Scores:
-1.89 -1.70 -1.91
Similarity Score:
2.17%
Best Match:
CHEMBL4078930
Prediction Result:
N/A

OPRK_HUMAN

Docking Scores:
-2.00 -1.95 -2.17
Similarity Score:
2.17%
Best Match:
CHEMBL4078930
Prediction Result:
N/A

OPRM_HUMAN

Docking Scores:
-2.00 -1.54 -2.10
Similarity Score:
2.17%
Best Match:
CHEMBL4078930
Prediction Result:
Inactive99.99%

OPRX_HUMAN

Docking Scores:
-1.87 -1.92 -1.94
Similarity Score:
1.25%
Best Match:
CHEMBL228857
Prediction Result:
N/A

PTAFR_HUMAN

Docking Scores:
-2.02 -1.97 -1.94
Similarity Score:
1.32%
Best Match:
CHEMBL371569
Prediction Result:
Inactive99.99%

TAAR1_HUMAN

Docking Scores:
-2.11 -1.84 -2.13
Similarity Score:
3.70%
Best Match:
CHEMBL406341
Prediction Result:
Inactive99.99%

TSHR_HUMAN

Docking Scores:
-1.96 -1.87 -2.00
Similarity Score:
0.74%
Best Match:
CHEMBL1515891
Prediction Result:
Inactive99.99%

V1AR_HUMAN

Docking Scores:
-1.59 -2.06 -1.93
Similarity Score:
1.08%
Best Match:
CHEMBL1083254
Prediction Result:
Inactive99.99%

VIPR1_HUMAN

Docking Scores:
-1.95 -2.08 -1.91
Similarity Score:
0.00%
Best Match:
CHEMBL3736230
Prediction Result:
N/A