CCCtest #233 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

5HT1A_HUMAN

Docking Scores:
-2.44 -2.28 -2.69
Similarity Score:
11.11%
Best Match:
CHEMBL158973
Prediction Result:
Inactive99.99%

5HT1B_HUMAN

Docking Scores:
-2.55 -2.59 -2.79
Similarity Score:
6.06%
Best Match:
CHEMBL342704
Prediction Result:
N/A

5HT1D_HUMAN

Docking Scores:
-2.62 -2.63 -2.40
Similarity Score:
5.13%
Best Match:
CHEMBL73281
Prediction Result:
N/A

5HT1E_HUMAN

Docking Scores:
-2.60 -2.75 -2.86
Similarity Score:
3.17%
Best Match:
CHEMBL39
Prediction Result:
Inactive99.99%

5HT1F_HUMAN

Docking Scores:
-2.53 -2.58 -2.66
Similarity Score:
3.17%
Best Match:
CHEMBL39
Prediction Result:
Inactive99.99%

5HT2A_HUMAN

Docking Scores:
-3.09 -2.94
Similarity Score:
11.11%
Best Match:
CHEMBL158973
Prediction Result:
N/A

5HT2B_HUMAN

Docking Scores:
-2.41 -2.53 -2.42
Similarity Score:
7.14%
Best Match:
CHEMBL471839
Prediction Result:
N/A

5HT2C_HUMAN

Docking Scores:
-2.79 -2.95
Similarity Score:
7.14%
Best Match:
CHEMBL471839
Prediction Result:
N/A

5HT4R_HUMAN

Docking Scores:
-2.57 -2.64 -2.66
Similarity Score:
3.39%
Best Match:
CHEMBL371300
Prediction Result:
Inactive99.99%

5HT5A_HUMAN

Docking Scores:
-2.81 -3.16 -2.33
Similarity Score:
3.28%
Best Match:
CHEMBL189262
Prediction Result:
Inactive99.99%

5HT6R_HUMAN

Docking Scores:
-2.44 -2.49 -2.56
Similarity Score:
7.41%
Best Match:
CHEMBL98511
Prediction Result:
Inactive99.99%

5HT7R_HUMAN

Docking Scores:
-2.33 -2.66 -2.55
Similarity Score:
11.11%
Best Match:
CHEMBL158973
Prediction Result:
Inactive99.99%

AA1R_HUMAN

Docking Scores:
-2.90 -2.37 -2.45
Similarity Score:
5.56%
Best Match:
CHEMBL3314905
Prediction Result:
N/A

AA2AR_HUMAN

Docking Scores:
-2.71 -2.57 -2.44
Similarity Score:
5.56%
Best Match:
CHEMBL3314905
Prediction Result:
N/A

AA2BR_HUMAN

Docking Scores:
-2.63 -2.47 -2.47
Similarity Score:
2.78%
Best Match:
CHEMBL39986
Prediction Result:
Inactive99.99%

AA3R_HUMAN

Docking Scores:
-2.62 -2.79 -2.48
Similarity Score:
7.69%
Best Match:
CHEMBL575060
Prediction Result:
Inactive99.99%

ACM1_HUMAN

Docking Scores:
-2.58 -3.03
Similarity Score:
8.70%
Best Match:
CHEMBL75880
Prediction Result:
N/A

ACM2_HUMAN

Docking Scores:
-2.72 -2.56 -2.65
Similarity Score:
8.33%
Best Match:
CHEMBL2030626
Prediction Result:
Inactive99.99%

ACM3_HUMAN

Docking Scores:
-2.90 -2.55 -2.96
Similarity Score:
8.70%
Best Match:
CHEMBL75880
Prediction Result:
Inactive99.99%

ACM4_HUMAN

Docking Scores:
-2.72 -2.47
Similarity Score:
8.70%
Best Match:
CHEMBL75880
Prediction Result:
N/A

ACM5_HUMAN

Docking Scores:
-2.49 -2.63 -2.63
Similarity Score:
8.70%
Best Match:
CHEMBL75880
Prediction Result:
Inactive99.99%

ACTHR_HUMAN

Docking Scores:
-3.71 -3.55 -3.16
Similarity Score:
N/A
Best Match:
N/A
Prediction Result:
N/A

ADA1D_HUMAN

Docking Scores:
-2.67 -2.89 -3.32
Similarity Score:
4.76%
Best Match:
CHEMBL648
Prediction Result:
Inactive99.99%

ADA2A_HUMAN

Docking Scores:
-2.61 -2.46 -2.57
Similarity Score:
6.90%
Best Match:
CHEMBL334255
Prediction Result:
Inactive99.99%

ADA2B_HUMAN

Docking Scores:
-2.63 -2.77 -2.69
Similarity Score:
6.90%
Best Match:
CHEMBL334255
Prediction Result:
Inactive99.99%

ADA2C_HUMAN

Docking Scores:
-2.84 -2.78 -2.70
Similarity Score:
8.70%
Best Match:
CHEMBL2030634
Prediction Result:
Inactive99.99%

ADRB1_HUMAN

Docking Scores:
-3.09 -2.44 -2.35
Similarity Score:
4.26%
Best Match:
CHEMBL27
Prediction Result:
Inactive99.99%

ADRB2_HUMAN

Docking Scores:
-2.58 -2.73 -2.72
Similarity Score:
4.26%
Best Match:
CHEMBL275742
Prediction Result:
N/A

ADRB3_HUMAN

Docking Scores:
-2.69 -2.74 -2.68
Similarity Score:
4.55%
Best Match:
CHEMBL1437
Prediction Result:
N/A

AGTR2_HUMAN

Docking Scores:
-2.75 -3.07 -3.09
Similarity Score:
2.17%
Best Match:
CHEMBL290829
Prediction Result:
N/A

BKRB2_HUMAN

Docking Scores:
-2.74 -2.79 -2.69
Similarity Score:
3.45%
Best Match:
CHEMBL121565
Prediction Result:
Inactive99.99%

CALCR_HUMAN

Docking Scores:
-2.55 -2.66 -3.15
Similarity Score:
1.42%
Best Match:
CHEMBL2369895
Prediction Result:
Inactive99.99%

CCKAR_HUMAN

Docking Scores:
-2.82 -2.75 -2.86
Similarity Score:
2.17%
Best Match:
CHEMBL317181
Prediction Result:
Inactive99.99%

CCR1_HUMAN

Docking Scores:
-2.89 -2.74 -2.80
Similarity Score:
3.23%
Best Match:
CHEMBL33761
Prediction Result:
Inactive99.99%

CCR2_HUMAN

Docking Scores:
-2.82 -2.71 -2.72
Similarity Score:
4.55%
Best Match:
CHEMBL18442
Prediction Result:
Inactive99.99%

CCR4_HUMAN

Docking Scores:
-2.28 -2.50 -2.84
Similarity Score:
2.86%
Best Match:
CHEMBL1618631
Prediction Result:
Inactive99.99%

CCR5_HUMAN

Docking Scores:
-3.08 -2.16 -3.03
Similarity Score:
3.85%
Best Match:
CHEMBL441635
Prediction Result:
Inactive99.99%

CLTR1_HUMAN

Docking Scores:
-3.05 -2.72 -3.12
Similarity Score:
2.30%
Best Match:
CHEMBL22776
Prediction Result:
Inactive99.99%

CNR1_HUMAN

Docking Scores:
-2.32 -2.77 -3.00
Similarity Score:
5.00%
Best Match:
CHEMBL146346
Prediction Result:
N/A

CNR2_HUMAN

Docking Scores:
-2.87 -2.73
Similarity Score:
9.52%
Best Match:
CHEMBL3360190
Prediction Result:
N/A

CXCR1_HUMAN

Docking Scores:
-2.67
Similarity Score:
3.45%
Best Match:
CHEMBL191413
Prediction Result:
N/A

CXCR2_HUMAN

Docking Scores:
-3.12 -2.51 -2.18
Similarity Score:
3.45%
Best Match:
CHEMBL191413
Prediction Result:
Inactive99.99%

CXCR3_HUMAN

Docking Scores:
-2.61 -2.58 -2.70
Similarity Score:
4.00%
Best Match:
CHEMBL2205723
Prediction Result:
Inactive99.99%

CXCR4_HUMAN

Docking Scores:
-3.19 -2.23 -2.54
Similarity Score:
4.55%
Best Match:
CHEMBL18442
Prediction Result:
N/A

DRD1_HUMAN

Docking Scores:
-2.51 -2.87 -2.61
Similarity Score:
5.56%
Best Match:
CHEMBL59
Prediction Result:
Inactive99.99%

DRD2_HUMAN

Docking Scores:
-2.99
Similarity Score:
11.11%
Best Match:
CHEMBL158973
Prediction Result:
N/A

DRD3_HUMAN

Docking Scores:
-2.53
Similarity Score:
5.56%
Best Match:
CHEMBL59
Prediction Result:
N/A

DRD4_HUMAN

Docking Scores:
-2.55 -2.57
Similarity Score:
5.56%
Best Match:
CHEMBL59
Prediction Result:
N/A

DRD5_HUMAN

Docking Scores:
-2.84 -3.50 -2.63
Similarity Score:
4.44%
Best Match:
CHEMBL201525
Prediction Result:
Inactive99.99%

EDNRA_HUMAN

Docking Scores:
-2.90 -2.90 -2.84
Similarity Score:
3.12%
Best Match:
CHEMBL290026
Prediction Result:
Inactive99.99%

GABR1_HUMAN

Docking Scores:
-2.64 -2.80 -3.18
Similarity Score:
2.08%
Best Match:
CHEMBL392394
Prediction Result:
Inactive99.99%

GASR_HUMAN

Docking Scores:
-3.19 -2.94 -2.00
Similarity Score:
2.50%
Best Match:
CHEMBL38874
Prediction Result:
Inactive99.99%

GRM1_HUMAN

Docking Scores:
-2.74 -2.71 -2.71
Similarity Score:
5.71%
Best Match:
CHEMBL38499
Prediction Result:
Inactive99.99%

GRM2_HUMAN

Docking Scores:
-2.81 -2.93 -2.83
Similarity Score:
6.25%
Best Match:
CHEMBL280563
Prediction Result:
Inactive99.99%

GRM3_HUMAN

Docking Scores:
-2.85 -2.90 -2.72
Similarity Score:
7.69%
Best Match:
CHEMBL575060
Prediction Result:
Inactive99.99%

GRM4_HUMAN

Docking Scores:
-2.97 -2.82 -2.96
Similarity Score:
4.76%
Best Match:
CHEMBL33567
Prediction Result:
Inactive99.99%

GRM5_HUMAN

Docking Scores:
-2.57 -3.33 -3.29
Similarity Score:
5.88%
Best Match:
CHEMBL1783985
Prediction Result:
N/A

GRM6_HUMAN

Docking Scores:
-2.83 -2.88 -2.93
Similarity Score:
6.25%
Best Match:
CHEMBL280563
Prediction Result:
Inactive99.99%

GRM7_HUMAN

Docking Scores:
-2.69 -2.64 -2.67
Similarity Score:
2.30%
Best Match:
CHEMBL432038
Prediction Result:
Inactive99.99%

GRM8_HUMAN

Docking Scores:
-2.77 -2.71 -2.78
Similarity Score:
7.69%
Best Match:
CHEMBL575060
Prediction Result:
Inactive99.99%

HRH1_HUMAN

Docking Scores:
-3.16
Similarity Score:
5.56%
Best Match:
CHEMBL47482
Prediction Result:
N/A

HRH2_HUMAN

Docking Scores:
-2.90 -2.59 -3.40
Similarity Score:
3.92%
Best Match:
CHEMBL13795
Prediction Result:
Inactive99.99%

HRH3_HUMAN

Docking Scores:
-2.84 -2.57 -2.33
Similarity Score:
11.76%
Best Match:
CHEMBL1190
Prediction Result:
Inactive99.99%

HRH4_HUMAN

Docking Scores:
-2.69 -2.70 -2.59
Similarity Score:
7.14%
Best Match:
CHEMBL12344
Prediction Result:
Inactive99.99%

MC3R_HUMAN

Docking Scores:
-3.05 -2.80 -2.38
Similarity Score:
2.90%
Best Match:
CHEMBL407135
Prediction Result:
Inactive99.99%

MC4R_HUMAN

Docking Scores:
-2.47 -2.33 -2.64
Similarity Score:
5.26%
Best Match:
CHEMBL195009
Prediction Result:
Inactive99.99%

MC5R_HUMAN

Docking Scores:
-2.19 -2.78 -3.09
Similarity Score:
2.90%
Best Match:
CHEMBL407135
Prediction Result:
Inactive99.99%

MSHR_HUMAN

Docking Scores:
-2.80 -2.61 -2.67
Similarity Score:
2.94%
Best Match:
CHEMBL267020
Prediction Result:
Inactive99.99%

NK1R_HUMAN

Docking Scores:
-2.88 -2.62 -2.29
Similarity Score:
3.85%
Best Match:
CHEMBL71498
Prediction Result:
N/A

NK2R_HUMAN

Docking Scores:
-2.90 -2.83 -2.69
Similarity Score:
3.57%
Best Match:
CHEMBL17157
Prediction Result:
Inactive99.99%

NPBW1_HUMAN

Docking Scores:
-2.73 -2.41 -2.25
Similarity Score:
1.64%
Best Match:
CHEMBL2000406
Prediction Result:
Inactive99.99%

NPFF1_HUMAN

Docking Scores:
-3.06 -2.85 -2.42
Similarity Score:
3.17%
Best Match:
CHEMBL575058
Prediction Result:
Inactive99.99%

NPSR1_HUMAN

Docking Scores:
-2.93 -3.16 -2.74
Similarity Score:
2.33%
Best Match:
CHEMBL3086828
Prediction Result:
Inactive99.99%

NPY1R_HUMAN

Docking Scores:
-2.61 -2.95 -2.90
Similarity Score:
3.92%
Best Match:
CHEMBL3559801
Prediction Result:
N/A

NPY2R_HUMAN

Docking Scores:
-2.61 -2.46 -2.44
Similarity Score:
3.92%
Best Match:
CHEMBL3559801
Prediction Result:
Inactive99.99%

NPY4R_HUMAN

Docking Scores:
-2.74 -2.28 -2.33
Similarity Score:
3.92%
Best Match:
CHEMBL3559801
Prediction Result:
Inactive99.99%

NPY5R_HUMAN

Docking Scores:
-2.47 -2.54 -2.95
Similarity Score:
3.92%
Best Match:
CHEMBL3559801
Prediction Result:
Inactive99.99%

OPRD_HUMAN

Docking Scores:
-2.74 -2.32 -2.55
Similarity Score:
4.44%
Best Match:
CHEMBL127346
Prediction Result:
N/A

OPRK_HUMAN

Docking Scores:
-2.65 -2.64 -3.01
Similarity Score:
8.00%
Best Match:
CHEMBL2432039
Prediction Result:
N/A

OPRM_HUMAN

Docking Scores:
-2.72 -2.74 -2.52
Similarity Score:
16.67%
Best Match:
CHEMBL123693
Prediction Result:
Inactive99.99%

OPRX_HUMAN

Docking Scores:
-2.46 -2.54 -2.65
Similarity Score:
4.17%
Best Match:
CHEMBL53256
Prediction Result:
N/A

PTAFR_HUMAN

Docking Scores:
-2.83 -2.75 -3.07
Similarity Score:
2.70%
Best Match:
CHEMBL514432
Prediction Result:
Inactive99.99%

TAAR1_HUMAN

Docking Scores:
-2.87 -2.66 -2.84
Similarity Score:
8.70%
Best Match:
CHEMBL508991
Prediction Result:
Inactive99.99%

TSHR_HUMAN

Docking Scores:
-2.74 -2.54 -2.86
Similarity Score:
2.06%
Best Match:
CHEMBL3908443
Prediction Result:
Inactive99.99%

V1AR_HUMAN

Docking Scores:
-2.47 -3.02 -2.26
Similarity Score:
2.90%
Best Match:
CHEMBL1083095
Prediction Result:
Inactive99.99%

VIPR1_HUMAN

Docking Scores:
-2.80 -2.85 -2.63
Similarity Score:
1.43%
Best Match:
CHEMBL484952
Prediction Result:
N/A