CC #21 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

5HT1A_HUMAN

Docking Scores:
-1.83 -1.54 -2.14
Similarity Score:
5.56%
Best Match:
CHEMBL158973
Prediction Result:
Inactive99.99%

5HT1B_HUMAN

Docking Scores:
-1.92 -1.84 -2.08
Similarity Score:
3.57%
Best Match:
CHEMBL337539
Prediction Result:
N/A

5HT1D_HUMAN

Docking Scores:
-1.87 -1.75 -1.77
Similarity Score:
3.03%
Best Match:
CHEMBL277120
Prediction Result:
N/A

5HT1E_HUMAN

Docking Scores:
-1.93 -2.11 -1.72
Similarity Score:
1.59%
Best Match:
CHEMBL39
Prediction Result:
Inactive99.99%

5HT1F_HUMAN

Docking Scores:
-1.85 -2.25 -1.92
Similarity Score:
1.59%
Best Match:
CHEMBL39
Prediction Result:
Inactive99.99%

5HT2A_HUMAN

Docking Scores:
-2.20 -2.17
Similarity Score:
5.56%
Best Match:
CHEMBL158973
Prediction Result:
N/A

5HT2B_HUMAN

Docking Scores:
-1.65 -1.82 -1.76
Similarity Score:
3.57%
Best Match:
CHEMBL471839
Prediction Result:
N/A

5HT2C_HUMAN

Docking Scores:
-2.13 -2.12
Similarity Score:
3.57%
Best Match:
CHEMBL471839
Prediction Result:
N/A

5HT4R_HUMAN

Docking Scores:
-1.85 -1.90 -1.92
Similarity Score:
1.69%
Best Match:
CHEMBL371300
Prediction Result:
Inactive99.99%

5HT5A_HUMAN

Docking Scores:
-2.15 -1.47 -1.98
Similarity Score:
3.03%
Best Match:
CHEMBL277120
Prediction Result:
Inactive99.99%

5HT6R_HUMAN

Docking Scores:
-1.73 -1.89 -1.61
Similarity Score:
3.70%
Best Match:
CHEMBL98511
Prediction Result:
Inactive99.99%

5HT7R_HUMAN

Docking Scores:
-1.99 -1.73 -1.91
Similarity Score:
5.56%
Best Match:
CHEMBL158973
Prediction Result:
Inactive99.99%

AA1R_HUMAN

Docking Scores:
-2.01 -1.70 -1.74
Similarity Score:
2.78%
Best Match:
CHEMBL3314905
Prediction Result:
N/A

AA2AR_HUMAN

Docking Scores:
-1.92 -1.79 -1.64
Similarity Score:
2.78%
Best Match:
CHEMBL3314905
Prediction Result:
N/A

AA2BR_HUMAN

Docking Scores:
-2.02 -1.88 -1.92
Similarity Score:
1.72%
Best Match:
CHEMBL1487093
Prediction Result:
Inactive99.99%

AA3R_HUMAN

Docking Scores:
-1.82 -2.02 -1.76
Similarity Score:
3.85%
Best Match:
CHEMBL575060
Prediction Result:
Inactive99.99%

ACM1_HUMAN

Docking Scores:
-1.85 -2.05
Similarity Score:
4.35%
Best Match:
CHEMBL667
Prediction Result:
N/A

ACM2_HUMAN

Docking Scores:
-1.90 -1.86 -1.87
Similarity Score:
4.35%
Best Match:
CHEMBL667
Prediction Result:
Inactive99.99%

ACM3_HUMAN

Docking Scores:
-2.05 -1.90 -2.14
Similarity Score:
4.35%
Best Match:
CHEMBL667
Prediction Result:
Inactive99.99%

ACM4_HUMAN

Docking Scores:
-1.81 -1.82
Similarity Score:
4.35%
Best Match:
CHEMBL667
Prediction Result:
N/A

ACM5_HUMAN

Docking Scores:
-2.10 -2.08 -1.90
Similarity Score:
4.35%
Best Match:
CHEMBL667
Prediction Result:
Inactive99.99%

ACTHR_HUMAN

Docking Scores:
-2.51 -2.44 -2.03
Similarity Score:
N/A
Best Match:
N/A
Prediction Result:
N/A

ADA1D_HUMAN

Docking Scores:
-1.99 -2.06 -2.34
Similarity Score:
2.38%
Best Match:
CHEMBL648
Prediction Result:
Inactive99.99%

ADA2A_HUMAN

Docking Scores:
-1.93 -1.73 -1.79
Similarity Score:
3.45%
Best Match:
CHEMBL334255
Prediction Result:
Inactive99.99%

ADA2B_HUMAN

Docking Scores:
-1.84 -1.93 -1.92
Similarity Score:
3.45%
Best Match:
CHEMBL334255
Prediction Result:
Inactive99.99%

ADA2C_HUMAN

Docking Scores:
-1.99 -2.02 -1.92
Similarity Score:
4.35%
Best Match:
CHEMBL2030634
Prediction Result:
Inactive99.99%

ADRB1_HUMAN

Docking Scores:
-2.12 -1.67 -1.94
Similarity Score:
2.27%
Best Match:
CHEMBL2335160
Prediction Result:
Inactive99.99%

ADRB2_HUMAN

Docking Scores:
-1.82 -1.92 -1.87
Similarity Score:
2.13%
Best Match:
CHEMBL275742
Prediction Result:
N/A

ADRB3_HUMAN

Docking Scores:
-2.01 -1.87 -1.95
Similarity Score:
2.27%
Best Match:
CHEMBL1437
Prediction Result:
N/A

AGTR2_HUMAN

Docking Scores:
-2.21 -1.92 -1.91
Similarity Score:
1.09%
Best Match:
CHEMBL290829
Prediction Result:
N/A

BKRB2_HUMAN

Docking Scores:
-1.91 -1.95 -2.04
Similarity Score:
1.72%
Best Match:
CHEMBL121565
Prediction Result:
Inactive99.99%

CALCR_HUMAN

Docking Scores:
-1.93 -2.03 -2.16
Similarity Score:
0.71%
Best Match:
CHEMBL2369895
Prediction Result:
Inactive99.99%

CCKAR_HUMAN

Docking Scores:
-2.11 -2.08 -2.00
Similarity Score:
1.09%
Best Match:
CHEMBL317181
Prediction Result:
Inactive99.99%

CCR1_HUMAN

Docking Scores:
-1.98 -1.90 -1.99
Similarity Score:
1.61%
Best Match:
CHEMBL33761
Prediction Result:
Inactive99.99%

CCR2_HUMAN

Docking Scores:
-1.60 -1.82 -2.01
Similarity Score:
3.12%
Best Match:
CHEMBL964
Prediction Result:
Inactive99.99%

CCR4_HUMAN

Docking Scores:
-1.45 -1.77 -2.06
Similarity Score:
1.43%
Best Match:
CHEMBL1618631
Prediction Result:
Inactive99.99%

CCR5_HUMAN

Docking Scores:
-2.04 -1.57 -1.85
Similarity Score:
1.92%
Best Match:
CHEMBL441635
Prediction Result:
Inactive99.99%

CLTR1_HUMAN

Docking Scores:
-2.06 -2.03 -2.20
Similarity Score:
1.23%
Best Match:
CHEMBL127842
Prediction Result:
Inactive99.99%

CNR1_HUMAN

Docking Scores:
-1.89 -2.05 -2.19
Similarity Score:
2.50%
Best Match:
CHEMBL146346
Prediction Result:
N/A

CNR2_HUMAN

Docking Scores:
-2.00 -1.91
Similarity Score:
4.76%
Best Match:
CHEMBL3360190
Prediction Result:
N/A

CXCR1_HUMAN

Docking Scores:
-2.09
Similarity Score:
1.72%
Best Match:
CHEMBL191413
Prediction Result:
N/A

CXCR2_HUMAN

Docking Scores:
-2.13 -1.78 -1.76
Similarity Score:
1.72%
Best Match:
CHEMBL191413
Prediction Result:
Inactive99.99%

CXCR3_HUMAN

Docking Scores:
-1.80 -1.92 -1.88
Similarity Score:
2.00%
Best Match:
CHEMBL2205723
Prediction Result:
Inactive99.99%

CXCR4_HUMAN

Docking Scores:
-2.19 -1.56 -1.81
Similarity Score:
2.27%
Best Match:
CHEMBL18442
Prediction Result:
N/A

DRD1_HUMAN

Docking Scores:
-1.80 -2.27 -2.09
Similarity Score:
2.78%
Best Match:
CHEMBL59
Prediction Result:
Inactive99.99%

DRD2_HUMAN

Docking Scores:
-1.64
Similarity Score:
5.56%
Best Match:
CHEMBL158973
Prediction Result:
N/A

DRD3_HUMAN

Docking Scores:
-1.82
Similarity Score:
3.12%
Best Match:
CHEMBL964
Prediction Result:
N/A

DRD4_HUMAN

Docking Scores:
-1.79 -2.04
Similarity Score:
2.78%
Best Match:
CHEMBL59
Prediction Result:
N/A

DRD5_HUMAN

Docking Scores:
-1.97 -1.92 -1.86
Similarity Score:
2.22%
Best Match:
CHEMBL201525
Prediction Result:
Inactive99.99%

EDNRA_HUMAN

Docking Scores:
-2.06 -2.03 -1.98
Similarity Score:
1.56%
Best Match:
CHEMBL290026
Prediction Result:
Inactive99.99%

GABR1_HUMAN

Docking Scores:
-1.84 -2.08 -2.26
Similarity Score:
1.04%
Best Match:
CHEMBL392394
Prediction Result:
Inactive99.99%

GASR_HUMAN

Docking Scores:
-2.27 -1.99 -1.58
Similarity Score:
1.25%
Best Match:
CHEMBL38874
Prediction Result:
Inactive99.99%

GRM1_HUMAN

Docking Scores:
-1.92 -1.97 -1.98
Similarity Score:
2.86%
Best Match:
CHEMBL38499
Prediction Result:
Inactive99.99%

GRM2_HUMAN

Docking Scores:
-1.95 -2.04 -1.97
Similarity Score:
3.12%
Best Match:
CHEMBL280563
Prediction Result:
Inactive99.99%

GRM3_HUMAN

Docking Scores:
-1.95 -1.98 -1.93
Similarity Score:
3.85%
Best Match:
CHEMBL575060
Prediction Result:
Inactive99.99%

GRM4_HUMAN

Docking Scores:
-2.16 -2.01 -2.09
Similarity Score:
2.38%
Best Match:
CHEMBL33567
Prediction Result:
Inactive99.99%

GRM5_HUMAN

Docking Scores:
-1.75 -2.33 -2.35
Similarity Score:
2.94%
Best Match:
CHEMBL1783985
Prediction Result:
N/A

GRM6_HUMAN

Docking Scores:
-1.98 -2.01 -2.03
Similarity Score:
3.12%
Best Match:
CHEMBL280563
Prediction Result:
Inactive99.99%

GRM7_HUMAN

Docking Scores:
-1.85 -1.96 -1.82
Similarity Score:
1.15%
Best Match:
CHEMBL432038
Prediction Result:
Inactive99.99%

GRM8_HUMAN

Docking Scores:
-1.90 -1.86 -1.94
Similarity Score:
3.85%
Best Match:
CHEMBL575060
Prediction Result:
Inactive99.99%

HRH1_HUMAN

Docking Scores:
-2.27
Similarity Score:
2.78%
Best Match:
CHEMBL47482
Prediction Result:
N/A

HRH2_HUMAN

Docking Scores:
-2.40 -2.30 -2.02
Similarity Score:
1.96%
Best Match:
CHEMBL13795
Prediction Result:
Inactive99.99%

HRH3_HUMAN

Docking Scores:
-2.07 -1.77 -1.55
Similarity Score:
5.88%
Best Match:
CHEMBL1190
Prediction Result:
Inactive99.99%

HRH4_HUMAN

Docking Scores:
-2.25 -1.98 -2.12
Similarity Score:
5.00%
Best Match:
CHEMBL539343
Prediction Result:
Inactive99.99%

MC3R_HUMAN

Docking Scores:
-2.28 -1.92 -1.86
Similarity Score:
1.45%
Best Match:
CHEMBL407135
Prediction Result:
Inactive99.99%

MC4R_HUMAN

Docking Scores:
-1.85 -1.77 -1.84
Similarity Score:
2.63%
Best Match:
CHEMBL195009
Prediction Result:
Inactive99.99%

MC5R_HUMAN

Docking Scores:
-1.62 -2.07 -2.40
Similarity Score:
1.45%
Best Match:
CHEMBL407135
Prediction Result:
Inactive99.99%

MSHR_HUMAN

Docking Scores:
-1.88 -1.84 -2.84
Similarity Score:
1.47%
Best Match:
CHEMBL267020
Prediction Result:
Inactive99.99%

NK1R_HUMAN

Docking Scores:
-2.04 -1.83 -1.68
Similarity Score:
1.92%
Best Match:
CHEMBL71498
Prediction Result:
N/A

NK2R_HUMAN

Docking Scores:
-1.99 -1.91 -2.06
Similarity Score:
1.85%
Best Match:
CHEMBL1289
Prediction Result:
Inactive99.99%

NPBW1_HUMAN

Docking Scores:
-2.17 -1.70 -1.62
Similarity Score:
0.82%
Best Match:
CHEMBL2000406
Prediction Result:
Inactive99.99%

NPFF1_HUMAN

Docking Scores:
-2.23 -1.68 -2.12
Similarity Score:
1.96%
Best Match:
CHEMBL573297
Prediction Result:
Inactive99.99%

NPSR1_HUMAN

Docking Scores:
-2.09 -2.23 -1.93
Similarity Score:
1.16%
Best Match:
CHEMBL3086828
Prediction Result:
Inactive99.99%

NPY1R_HUMAN

Docking Scores:
-1.86 -2.01 -2.03
Similarity Score:
1.96%
Best Match:
CHEMBL3559801
Prediction Result:
N/A

NPY2R_HUMAN

Docking Scores:
-2.06 -1.83 -1.77
Similarity Score:
1.96%
Best Match:
CHEMBL3559801
Prediction Result:
Inactive99.99%

NPY4R_HUMAN

Docking Scores:
-1.93 -1.63 -1.71
Similarity Score:
1.96%
Best Match:
CHEMBL3559801
Prediction Result:
Inactive99.99%

NPY5R_HUMAN

Docking Scores:
-1.70 -2.07 -1.74
Similarity Score:
1.96%
Best Match:
CHEMBL3559801
Prediction Result:
Inactive99.99%

OPRD_HUMAN

Docking Scores:
-1.92 -1.64 -1.90
Similarity Score:
2.22%
Best Match:
CHEMBL127346
Prediction Result:
N/A

OPRK_HUMAN

Docking Scores:
-2.00 -1.94 -2.14
Similarity Score:
4.00%
Best Match:
CHEMBL2432039
Prediction Result:
N/A

OPRM_HUMAN

Docking Scores:
-1.99 -1.95 -2.04
Similarity Score:
8.33%
Best Match:
CHEMBL123693
Prediction Result:
Inactive99.99%

OPRX_HUMAN

Docking Scores:
-1.66 -1.91 -1.94
Similarity Score:
2.08%
Best Match:
CHEMBL53256
Prediction Result:
N/A

PTAFR_HUMAN

Docking Scores:
-2.11 -1.97 -2.08
Similarity Score:
1.35%
Best Match:
CHEMBL514432
Prediction Result:
Inactive99.99%

TAAR1_HUMAN

Docking Scores:
-2.08 -1.95 -2.26
Similarity Score:
4.35%
Best Match:
CHEMBL508991
Prediction Result:
Inactive99.99%

TSHR_HUMAN

Docking Scores:
-1.94 -1.84 -1.98
Similarity Score:
1.03%
Best Match:
CHEMBL3908443
Prediction Result:
Inactive99.99%

V1AR_HUMAN

Docking Scores:
-1.83 -1.77 -1.82
Similarity Score:
1.45%
Best Match:
CHEMBL1083095
Prediction Result:
Inactive99.99%

VIPR1_HUMAN

Docking Scores:
-2.11 -2.09 -2.23
Similarity Score:
0.74%
Best Match:
CHEMBL1784685
Prediction Result:
N/A