CCCC #27 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

5HT1A_HUMAN

Docking Scores:
-3.06 -2.75 -2.87
Similarity Score:
10.53%
Best Match:
CHEMBL158973
Prediction Result:
Inactive99.99%

5HT1B_HUMAN

Docking Scores:
-3.22 -3.11 -3.20
Similarity Score:
7.14%
Best Match:
CHEMBL136470
Prediction Result:
N/A

5HT1D_HUMAN

Docking Scores:
-3.03 -3.17 -3.68
Similarity Score:
6.82%
Best Match:
CHEMBL138907
Prediction Result:
N/A

5HT1E_HUMAN

Docking Scores:
-3.14 -3.35 -3.38
Similarity Score:
3.12%
Best Match:
CHEMBL39
Prediction Result:
Inactive99.99%

5HT1F_HUMAN

Docking Scores:
-3.11 -3.35 -3.19
Similarity Score:
3.41%
Best Match:
CHEMBL103424
Prediction Result:
Inactive99.99%

5HT2A_HUMAN

Docking Scores:
-3.14 -3.21
Similarity Score:
10.71%
Best Match:
CHEMBL471839
Prediction Result:
N/A

5HT2B_HUMAN

Docking Scores:
-3.01 -2.89 -3.01
Similarity Score:
10.71%
Best Match:
CHEMBL471839
Prediction Result:
N/A

5HT2C_HUMAN

Docking Scores:
-3.19 -3.53
Similarity Score:
10.71%
Best Match:
CHEMBL471839
Prediction Result:
N/A

5HT4R_HUMAN

Docking Scores:
-3.08 -3.03 -3.29
Similarity Score:
3.53%
Best Match:
CHEMBL1258560
Prediction Result:
Inactive99.99%

5HT5A_HUMAN

Docking Scores:
-3.28 -3.55 -3.15
Similarity Score:
4.92%
Best Match:
CHEMBL189262
Prediction Result:
Inactive99.99%

5HT6R_HUMAN

Docking Scores:
-2.99 -3.11 -3.03
Similarity Score:
11.11%
Best Match:
CHEMBL98511
Prediction Result:
Inactive99.99%

5HT7R_HUMAN

Docking Scores:
-3.13 -3.20 -3.05
Similarity Score:
10.53%
Best Match:
CHEMBL158973
Prediction Result:
Inactive99.99%

AA1R_HUMAN

Docking Scores:
-3.16 -2.92 -3.02
Similarity Score:
8.33%
Best Match:
CHEMBL3314905
Prediction Result:
N/A

AA2AR_HUMAN

Docking Scores:
-3.28 -3.12 -2.94
Similarity Score:
8.33%
Best Match:
CHEMBL3314905
Prediction Result:
N/A

AA2BR_HUMAN

Docking Scores:
-3.20 -2.98 -2.92
Similarity Score:
4.05%
Best Match:
CHEMBL68278
Prediction Result:
Inactive99.99%

AA3R_HUMAN

Docking Scores:
-3.25 -3.33 -2.75
Similarity Score:
11.54%
Best Match:
CHEMBL575060
Prediction Result:
Inactive99.99%

ACM1_HUMAN

Docking Scores:
-3.17 -3.79
Similarity Score:
13.04%
Best Match:
CHEMBL75880
Prediction Result:
N/A

ACM2_HUMAN

Docking Scores:
-3.17 -3.01 -3.18
Similarity Score:
12.50%
Best Match:
CHEMBL2030626
Prediction Result:
Inactive99.99%

ACM3_HUMAN

Docking Scores:
-3.32 -3.12 -3.53
Similarity Score:
13.04%
Best Match:
CHEMBL75880
Prediction Result:
Inactive99.99%

ACM4_HUMAN

Docking Scores:
-3.25 -2.99
Similarity Score:
13.04%
Best Match:
CHEMBL75880
Prediction Result:
N/A

ACM5_HUMAN

Docking Scores:
-3.09 -3.15 -3.17
Similarity Score:
13.04%
Best Match:
CHEMBL75880
Prediction Result:
Inactive99.99%

ACTHR_HUMAN

Docking Scores:
-4.39 -4.19 -3.56
Similarity Score:
N/A
Best Match:
N/A
Prediction Result:
N/A

ADA1D_HUMAN

Docking Scores:
-3.14 -3.26 -3.95
Similarity Score:
5.66%
Best Match:
CHEMBL533979
Prediction Result:
Inactive99.99%

ADA2A_HUMAN

Docking Scores:
-3.14 -3.14 -3.16
Similarity Score:
10.34%
Best Match:
CHEMBL334255
Prediction Result:
Inactive99.99%

ADA2B_HUMAN

Docking Scores:
-3.23 -3.29 -3.33
Similarity Score:
10.34%
Best Match:
CHEMBL334255
Prediction Result:
Inactive99.99%

ADA2C_HUMAN

Docking Scores:
-3.41 -3.27 -3.15
Similarity Score:
13.04%
Best Match:
CHEMBL2030634
Prediction Result:
Inactive99.99%

ADRB1_HUMAN

Docking Scores:
-3.49 -2.97 -2.91
Similarity Score:
4.84%
Best Match:
CHEMBL507003
Prediction Result:
Inactive99.99%

ADRB2_HUMAN

Docking Scores:
-3.11 -3.31 -3.34
Similarity Score:
5.36%
Best Match:
CHEMBL388177
Prediction Result:
N/A

ADRB3_HUMAN

Docking Scores:
-3.28 -3.26 -3.29
Similarity Score:
4.84%
Best Match:
CHEMBL507003
Prediction Result:
N/A

AGTR2_HUMAN

Docking Scores:
-3.63 -3.62 -3.47
Similarity Score:
3.19%
Best Match:
CHEMBL376286
Prediction Result:
N/A

BKRB2_HUMAN

Docking Scores:
-3.06 -3.57 -3.41
Similarity Score:
5.17%
Best Match:
CHEMBL121565
Prediction Result:
Inactive99.99%

CALCR_HUMAN

Docking Scores:
-3.00 -3.06 -3.76
Similarity Score:
2.13%
Best Match:
CHEMBL2369895
Prediction Result:
Inactive99.99%

CCKAR_HUMAN

Docking Scores:
-3.41 -3.05 -3.56
Similarity Score:
3.26%
Best Match:
CHEMBL317181
Prediction Result:
Inactive99.99%

CCR1_HUMAN

Docking Scores:
-3.23 -3.35 -2.96
Similarity Score:
4.84%
Best Match:
CHEMBL33761
Prediction Result:
Inactive99.99%

CCR2_HUMAN

Docking Scores:
-3.29 -3.07 -3.24
Similarity Score:
4.44%
Best Match:
CHEMBL18442
Prediction Result:
Inactive99.99%

CCR4_HUMAN

Docking Scores:
-2.55 -2.88 -2.57
Similarity Score:
3.49%
Best Match:
CHEMBL1621896
Prediction Result:
Inactive99.99%

CCR5_HUMAN

Docking Scores:
-3.75 -3.25 -3.60
Similarity Score:
5.77%
Best Match:
CHEMBL441635
Prediction Result:
Inactive99.99%

CLTR1_HUMAN

Docking Scores:
-3.73 -3.42 -3.80
Similarity Score:
3.45%
Best Match:
CHEMBL22776
Prediction Result:
Inactive99.99%

CNR1_HUMAN

Docking Scores:
-3.22 -3.34 -3.61
Similarity Score:
7.50%
Best Match:
CHEMBL146346
Prediction Result:
N/A

CNR2_HUMAN

Docking Scores:
-3.47 -3.35
Similarity Score:
14.29%
Best Match:
CHEMBL3360190
Prediction Result:
N/A

CXCR1_HUMAN

Docking Scores:
-3.26
Similarity Score:
5.17%
Best Match:
CHEMBL191413
Prediction Result:
N/A

CXCR2_HUMAN

Docking Scores:
-3.51 -2.97 -2.52
Similarity Score:
5.17%
Best Match:
CHEMBL191413
Prediction Result:
Inactive99.99%

CXCR3_HUMAN

Docking Scores:
-3.21 -2.99 -3.16
Similarity Score:
6.00%
Best Match:
CHEMBL2205723
Prediction Result:
Inactive99.99%

CXCR4_HUMAN

Docking Scores:
-3.30 -2.74 -3.10
Similarity Score:
6.12%
Best Match:
CHEMBL2170299
Prediction Result:
N/A

DRD1_HUMAN

Docking Scores:
-2.92 -3.36 -2.86
Similarity Score:
5.66%
Best Match:
CHEMBL21731
Prediction Result:
Inactive99.99%

DRD2_HUMAN

Docking Scores:
-3.77
Similarity Score:
10.53%
Best Match:
CHEMBL158973
Prediction Result:
N/A

DRD3_HUMAN

Docking Scores:
-3.16
Similarity Score:
6.98%
Best Match:
CHEMBL1196271
Prediction Result:
N/A

DRD4_HUMAN

Docking Scores:
-3.08 -3.26
Similarity Score:
5.77%
Best Match:
CHEMBL21035
Prediction Result:
N/A

DRD5_HUMAN

Docking Scores:
-3.50 -3.23 -3.26
Similarity Score:
5.66%
Best Match:
CHEMBL21731
Prediction Result:
Inactive99.99%

EDNRA_HUMAN

Docking Scores:
-3.52 -3.52 -3.52
Similarity Score:
4.69%
Best Match:
CHEMBL290026
Prediction Result:
Inactive99.99%

GABR1_HUMAN

Docking Scores:
-3.32 -3.32 -3.94
Similarity Score:
3.12%
Best Match:
CHEMBL392394
Prediction Result:
Inactive99.99%

GASR_HUMAN

Docking Scores:
-3.51 -3.20 -2.61
Similarity Score:
3.75%
Best Match:
CHEMBL38874
Prediction Result:
Inactive99.99%

GRM1_HUMAN

Docking Scores:
-3.16 -3.32 -3.35
Similarity Score:
8.57%
Best Match:
CHEMBL38499
Prediction Result:
Inactive99.99%

GRM2_HUMAN

Docking Scores:
-3.49 -3.60 -3.51
Similarity Score:
9.38%
Best Match:
CHEMBL280563
Prediction Result:
Inactive99.99%

GRM3_HUMAN

Docking Scores:
-3.50 -3.61 -3.41
Similarity Score:
11.54%
Best Match:
CHEMBL575060
Prediction Result:
Inactive99.99%

GRM4_HUMAN

Docking Scores:
-3.51 -3.36 -3.49
Similarity Score:
7.14%
Best Match:
CHEMBL33567
Prediction Result:
Inactive99.99%

GRM5_HUMAN

Docking Scores:
-3.20 -4.05 -4.03
Similarity Score:
8.82%
Best Match:
CHEMBL1783985
Prediction Result:
N/A

GRM6_HUMAN

Docking Scores:
-3.48 -3.48 -3.51
Similarity Score:
9.38%
Best Match:
CHEMBL280563
Prediction Result:
Inactive99.99%

GRM7_HUMAN

Docking Scores:
-3.23 -3.27 -3.28
Similarity Score:
3.45%
Best Match:
CHEMBL432038
Prediction Result:
Inactive99.99%

GRM8_HUMAN

Docking Scores:
-3.29 -3.33 -3.35
Similarity Score:
11.54%
Best Match:
CHEMBL575060
Prediction Result:
Inactive99.99%

HRH1_HUMAN

Docking Scores:
-3.80
Similarity Score:
8.33%
Best Match:
CHEMBL593494
Prediction Result:
N/A

HRH2_HUMAN

Docking Scores:
-3.51 -3.08 -3.65
Similarity Score:
5.88%
Best Match:
CHEMBL13795
Prediction Result:
Inactive99.99%

HRH3_HUMAN

Docking Scores:
-3.39 -3.08 -2.77
Similarity Score:
17.65%
Best Match:
CHEMBL1190
Prediction Result:
Inactive99.99%

HRH4_HUMAN

Docking Scores:
-3.21 -3.23 -2.83
Similarity Score:
6.90%
Best Match:
CHEMBL12344
Prediction Result:
Inactive99.99%

MC3R_HUMAN

Docking Scores:
-3.54 -3.36 -3.32
Similarity Score:
4.35%
Best Match:
CHEMBL407135
Prediction Result:
Inactive99.99%

MC4R_HUMAN

Docking Scores:
-2.91 -2.84 -3.19
Similarity Score:
6.25%
Best Match:
CHEMBL371896
Prediction Result:
Inactive99.99%

MC5R_HUMAN

Docking Scores:
-2.63 -3.40 -3.27
Similarity Score:
4.35%
Best Match:
CHEMBL407135
Prediction Result:
Inactive99.99%

MSHR_HUMAN

Docking Scores:
-3.43 -2.98 -3.13
Similarity Score:
4.41%
Best Match:
CHEMBL267020
Prediction Result:
Inactive99.99%

NK1R_HUMAN

Docking Scores:
-3.01 -3.25 -2.69
Similarity Score:
5.45%
Best Match:
CHEMBL305274
Prediction Result:
N/A

NK2R_HUMAN

Docking Scores:
-3.48 -3.53 -3.36
Similarity Score:
5.36%
Best Match:
CHEMBL17157
Prediction Result:
Inactive99.99%

NPBW1_HUMAN

Docking Scores:
-3.18 -2.90 -2.75
Similarity Score:
2.33%
Best Match:
CHEMBL1999570
Prediction Result:
Inactive99.99%

NPFF1_HUMAN

Docking Scores:
-3.18 -2.77 -3.24
Similarity Score:
3.75%
Best Match:
CHEMBL3361417
Prediction Result:
Inactive99.99%

NPSR1_HUMAN

Docking Scores:
-3.19 -3.20 -3.32
Similarity Score:
3.49%
Best Match:
CHEMBL3086828
Prediction Result:
Inactive99.99%

NPY1R_HUMAN

Docking Scores:
-3.16 -3.48 -3.44
Similarity Score:
5.88%
Best Match:
CHEMBL3559801
Prediction Result:
N/A

NPY2R_HUMAN

Docking Scores:
-3.03 -2.84 -2.98
Similarity Score:
5.88%
Best Match:
CHEMBL3559801
Prediction Result:
Inactive99.99%

NPY4R_HUMAN

Docking Scores:
-2.82 -2.74 -2.77
Similarity Score:
5.88%
Best Match:
CHEMBL3559801
Prediction Result:
Inactive99.99%

NPY5R_HUMAN

Docking Scores:
-2.92 -3.01 -2.88
Similarity Score:
5.88%
Best Match:
CHEMBL3559801
Prediction Result:
Inactive99.99%

OPRD_HUMAN

Docking Scores:
-3.36 -2.80 -2.98
Similarity Score:
6.38%
Best Match:
CHEMBL411
Prediction Result:
N/A

OPRK_HUMAN

Docking Scores:
-3.69 -3.41 -3.49
Similarity Score:
12.00%
Best Match:
CHEMBL2432039
Prediction Result:
N/A

OPRM_HUMAN

Docking Scores:
-3.26 -3.11 -3.16
Similarity Score:
25.00%
Best Match:
CHEMBL123693
Prediction Result:
Inactive99.99%

OPRX_HUMAN

Docking Scores:
-2.84 -2.86 -3.02
Similarity Score:
6.25%
Best Match:
CHEMBL53256
Prediction Result:
N/A

PTAFR_HUMAN

Docking Scores:
-3.31 -3.34 -3.64
Similarity Score:
4.05%
Best Match:
CHEMBL514432
Prediction Result:
Inactive99.99%

TAAR1_HUMAN

Docking Scores:
-3.49 -3.27 -3.64
Similarity Score:
11.11%
Best Match:
CHEMBL19393
Prediction Result:
Inactive99.99%

TSHR_HUMAN

Docking Scores:
-3.19 -3.09 -3.44
Similarity Score:
3.09%
Best Match:
CHEMBL3908443
Prediction Result:
Inactive99.99%

V1AR_HUMAN

Docking Scores:
-3.87 -3.68 -3.30
Similarity Score:
4.35%
Best Match:
CHEMBL1083095
Prediction Result:
Inactive99.99%

VIPR1_HUMAN

Docking Scores:
-3.18 -3.35 -3.18
Similarity Score:
2.14%
Best Match:
CHEMBL484952
Prediction Result:
N/A