virus CKB #284 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

5HT1A_HUMAN

Docking Scores:
-3.75 -3.78 -4.17
Similarity Score:
7.69%
Best Match:
CHEMBL158973
Prediction Result:
Inactive99.99%

5HT1B_HUMAN

Docking Scores:
-3.90 -3.94 -4.34
Similarity Score:
4.88%
Best Match:
CHEMBL342704
Prediction Result:
N/A

5HT1D_HUMAN

Docking Scores:
-4.44 -3.80 -4.18
Similarity Score:
4.41%
Best Match:
CHEMBL276868
Prediction Result:
N/A

5HT1E_HUMAN

Docking Scores:
-3.68 -3.87 -3.60
Similarity Score:
3.91%
Best Match:
CHEMBL432713
Prediction Result:
Inactive99.99%

5HT1F_HUMAN

Docking Scores:
-3.94 -3.90 -3.87
Similarity Score:
4.26%
Best Match:
CHEMBL103424
Prediction Result:
Inactive99.99%

5HT2A_HUMAN

Docking Scores:
-3.63 -4.04
Similarity Score:
7.69%
Best Match:
CHEMBL158973
Prediction Result:
N/A

5HT2B_HUMAN

Docking Scores:
-3.92 -4.00 -4.00
Similarity Score:
7.32%
Best Match:
CHEMBL452719
Prediction Result:
N/A

5HT2C_HUMAN

Docking Scores:
-3.83 -4.34
Similarity Score:
7.32%
Best Match:
CHEMBL452719
Prediction Result:
N/A

5HT4R_HUMAN

Docking Scores:
-3.84 -4.20 -3.71
Similarity Score:
3.54%
Best Match:
CHEMBL2401750
Prediction Result:
Inactive99.99%

5HT5A_HUMAN

Docking Scores:
-3.96 -3.46 -3.74
Similarity Score:
4.41%
Best Match:
CHEMBL189262
Prediction Result:
Inactive99.99%

5HT6R_HUMAN

Docking Scores:
-3.94 -3.84 -4.05
Similarity Score:
5.71%
Best Match:
CHEMBL98511
Prediction Result:
Inactive99.99%

5HT7R_HUMAN

Docking Scores:
-3.95 -4.05 -3.93
Similarity Score:
7.69%
Best Match:
CHEMBL158973
Prediction Result:
Inactive99.99%

AA1R_HUMAN

Docking Scores:
-3.69 -3.95 -3.68
Similarity Score:
5.26%
Best Match:
CHEMBL198054
Prediction Result:
N/A

AA2AR_HUMAN

Docking Scores:
-3.51 -3.89 -4.19
Similarity Score:
4.55%
Best Match:
CHEMBL3314905
Prediction Result:
N/A

AA2BR_HUMAN

Docking Scores:
-3.87 -4.26 -3.78
Similarity Score:
3.73%
Best Match:
CHEMBL51353
Prediction Result:
Inactive99.99%

AA3R_HUMAN

Docking Scores:
-4.57 -2.27 -4.18
Similarity Score:
7.14%
Best Match:
CHEMBL39664
Prediction Result:
Inactive99.99%

ACM1_HUMAN

Docking Scores:
-4.76 -1.75
Similarity Score:
6.45%
Best Match:
CHEMBL75880
Prediction Result:
N/A

ACM2_HUMAN

Docking Scores:
-4.19 -4.22 -4.53
Similarity Score:
6.25%
Best Match:
CHEMBL2030626
Prediction Result:
Inactive99.99%

ACM3_HUMAN

Docking Scores:
-3.98 -4.42 -3.85
Similarity Score:
6.45%
Best Match:
CHEMBL75880
Prediction Result:
Inactive99.99%

ACM4_HUMAN

Docking Scores:
-4.46 -3.60
Similarity Score:
6.45%
Best Match:
CHEMBL75880
Prediction Result:
N/A

ACM5_HUMAN

Docking Scores:
-4.79 -4.67 -4.05
Similarity Score:
6.45%
Best Match:
CHEMBL75880
Prediction Result:
Inactive99.99%

ACTHR_HUMAN

Docking Scores:
-4.02 -4.32 -4.03
Similarity Score:
N/A
Best Match:
N/A
Prediction Result:
N/A

ADA1D_HUMAN

Docking Scores:
-3.93 -4.13 -4.25
Similarity Score:
4.92%
Best Match:
CHEMBL3343976
Prediction Result:
Inactive99.99%

ADA2A_HUMAN

Docking Scores:
-4.67 -4.60 -3.88
Similarity Score:
5.41%
Best Match:
CHEMBL334255
Prediction Result:
Inactive99.99%

ADA2B_HUMAN

Docking Scores:
-4.61 -4.35 -4.53
Similarity Score:
5.41%
Best Match:
CHEMBL334255
Prediction Result:
Active61.11%

ADA2C_HUMAN

Docking Scores:
-4.27 -4.62 -4.00
Similarity Score:
6.45%
Best Match:
CHEMBL2030634
Prediction Result:
Inactive99.99%

ADRB1_HUMAN

Docking Scores:
-4.47 -4.43 -4.33
Similarity Score:
4.35%
Best Match:
CHEMBL507003
Prediction Result:
Inactive80.14%

ADRB2_HUMAN

Docking Scores:
-4.05 -4.16 -4.12
Similarity Score:
4.49%
Best Match:
CHEMBL1940828
Prediction Result:
N/A

ADRB3_HUMAN

Docking Scores:
-4.13 -4.03 -3.75
Similarity Score:
4.47%
Best Match:
CHEMBL417387
Prediction Result:
N/A

AGTR2_HUMAN

Docking Scores:
-3.73 -3.76 -3.87
Similarity Score:
3.90%
Best Match:
CHEMBL2435831
Prediction Result:
N/A

BKRB2_HUMAN

Docking Scores:
-4.08 -4.27 -4.11
Similarity Score:
11.48%
Best Match:
CHEMBL121565
Prediction Result:
Inactive99.99%

CALCR_HUMAN

Docking Scores:
-3.84 -3.78 -3.76
Similarity Score:
2.03%
Best Match:
CHEMBL2369895
Prediction Result:
Inactive99.99%

CCKAR_HUMAN

Docking Scores:
-3.73 -4.27 -4.25
Similarity Score:
3.55%
Best Match:
CHEMBL1784685
Prediction Result:
Inactive99.99%

CCR1_HUMAN

Docking Scores:
-3.48 -3.42 -3.92
Similarity Score:
4.35%
Best Match:
CHEMBL339349
Prediction Result:
Inactive99.99%

CCR2_HUMAN

Docking Scores:
-3.51 -3.76 -3.69
Similarity Score:
5.83%
Best Match:
CHEMBL248812
Prediction Result:
Inactive99.99%

CCR4_HUMAN

Docking Scores:
-4.03 -3.77 -3.50
Similarity Score:
4.60%
Best Match:
CHEMBL206878
Prediction Result:
Inactive99.99%

CCR5_HUMAN

Docking Scores:
-3.40 -3.65 -3.49
Similarity Score:
9.00%
Best Match:
CHEMBL62454
Prediction Result:
Inactive99.99%

CLTR1_HUMAN

Docking Scores:
-4.41 -4.18 -4.29
Similarity Score:
3.19%
Best Match:
CHEMBL22776
Prediction Result:
Inactive99.99%

CNR1_HUMAN

Docking Scores:
-4.10 -3.98 -4.38
Similarity Score:
5.63%
Best Match:
CHEMBL2179762
Prediction Result:
N/A

CNR2_HUMAN

Docking Scores:
-4.48 -4.39
Similarity Score:
6.90%
Best Match:
CHEMBL3360190
Prediction Result:
N/A

CXCR1_HUMAN

Docking Scores:
-4.98
Similarity Score:
3.03%
Best Match:
CHEMBL191413
Prediction Result:
N/A

CXCR2_HUMAN

Docking Scores:
-3.20 -3.24 -3.34
Similarity Score:
3.55%
Best Match:
CHEMBL1784685
Prediction Result:
Inactive99.99%

CXCR3_HUMAN

Docking Scores:
-4.37 -4.19 -3.88
Similarity Score:
4.35%
Best Match:
CHEMBL2181446
Prediction Result:
Inactive99.99%

CXCR4_HUMAN

Docking Scores:
-3.88 -2.96 -3.51
Similarity Score:
3.85%
Best Match:
CHEMBL18442
Prediction Result:
N/A

DRD1_HUMAN

Docking Scores:
-3.75 -4.13 -4.19
Similarity Score:
5.26%
Best Match:
CHEMBL908
Prediction Result:
Inactive99.99%

DRD2_HUMAN

Docking Scores:
-4.21
Similarity Score:
7.69%
Best Match:
CHEMBL158973
Prediction Result:
N/A

DRD3_HUMAN

Docking Scores:
-3.90
Similarity Score:
6.25%
Best Match:
CHEMBL1006
Prediction Result:
N/A

DRD4_HUMAN

Docking Scores:
-3.56 -3.59
Similarity Score:
5.13%
Best Match:
CHEMBL1202208
Prediction Result:
N/A

DRD5_HUMAN

Docking Scores:
-4.06 -4.34 -3.40
Similarity Score:
5.26%
Best Match:
CHEMBL908
Prediction Result:
Inactive99.99%

EDNRA_HUMAN

Docking Scores:
-3.50 -3.56 -3.41
Similarity Score:
3.57%
Best Match:
CHEMBL3753406
Prediction Result:
Inactive99.99%

GABR1_HUMAN

Docking Scores:
-1.86 -2.15 -2.28
Similarity Score:
6.73%
Best Match:
CHEMBL2391908
Prediction Result:
Inactive99.99%

GASR_HUMAN

Docking Scores:
-3.54 -3.86 -4.02
Similarity Score:
3.45%
Best Match:
CHEMBL38874
Prediction Result:
Inactive99.99%

GRM1_HUMAN

Docking Scores:
-4.66 -4.29 -4.40
Similarity Score:
4.65%
Best Match:
CHEMBL38499
Prediction Result:
Inactive97.79%

GRM2_HUMAN

Docking Scores:
-4.60 -3.90 -4.16
Similarity Score:
5.00%
Best Match:
CHEMBL280563
Prediction Result:
Inactive99.99%

GRM3_HUMAN

Docking Scores:
-3.99 -4.22 -4.78
Similarity Score:
5.88%
Best Match:
CHEMBL575060
Prediction Result:
Inactive99.99%

GRM4_HUMAN

Docking Scores:
-1.00 -0.30 -0.34
Similarity Score:
10.64%
Best Match:
CHEMBL33567
Prediction Result:
Inactive99.99%

GRM5_HUMAN

Docking Scores:
-4.83 -3.35 -3.44
Similarity Score:
7.35%
Best Match:
CHEMBL195965
Prediction Result:
N/A

GRM6_HUMAN

Docking Scores:
-4.77 -4.83 -4.92
Similarity Score:
10.64%
Best Match:
CHEMBL33567
Prediction Result:
Inactive95.17%

GRM7_HUMAN

Docking Scores:
-4.35 -2.83 -3.85
Similarity Score:
3.55%
Best Match:
CHEMBL3561819
Prediction Result:
Inactive99.99%

GRM8_HUMAN

Docking Scores:
-1.83 -1.12 -1.22
Similarity Score:
10.64%
Best Match:
CHEMBL285843
Prediction Result:
Inactive99.99%

HRH1_HUMAN

Docking Scores:
-3.41
Similarity Score:
6.98%
Best Match:
CHEMBL593494
Prediction Result:
N/A

HRH2_HUMAN

Docking Scores:
-4.22 -4.14 -3.97
Similarity Score:
4.11%
Best Match:
CHEMBL3104093
Prediction Result:
Inactive99.99%

HRH3_HUMAN

Docking Scores:
-4.02 -4.03 -3.99
Similarity Score:
8.00%
Best Match:
CHEMBL1190
Prediction Result:
Inactive99.99%

HRH4_HUMAN

Docking Scores:
-4.16 -4.17 -4.17
Similarity Score:
5.56%
Best Match:
CHEMBL12344
Prediction Result:
Inactive99.99%

MC3R_HUMAN

Docking Scores:
-3.65 -3.45 -3.08
Similarity Score:
3.92%
Best Match:
CHEMBL1761873
Prediction Result:
Inactive99.99%

MC4R_HUMAN

Docking Scores:
-3.46 -3.09 -3.12
Similarity Score:
5.45%
Best Match:
CHEMBL371896
Prediction Result:
Inactive99.99%

MC5R_HUMAN

Docking Scores:
-2.99 -3.54 -2.17
Similarity Score:
3.92%
Best Match:
CHEMBL1761870
Prediction Result:
Inactive99.99%

MSHR_HUMAN

Docking Scores:
-3.36 -3.52 -3.60
Similarity Score:
3.92%
Best Match:
CHEMBL1761872
Prediction Result:
Inactive99.99%

NK1R_HUMAN

Docking Scores:
-4.15 -3.82 -3.63
Similarity Score:
4.69%
Best Match:
CHEMBL143813
Prediction Result:
N/A

NK2R_HUMAN

Docking Scores:
-3.73 -3.89 -3.84
Similarity Score:
3.81%
Best Match:
CHEMBL9960
Prediction Result:
Inactive99.99%

NPBW1_HUMAN

Docking Scores:
-3.74 -3.44 -3.69
Similarity Score:
3.55%
Best Match:
CHEMBL1997066
Prediction Result:
Inactive99.99%

NPFF1_HUMAN

Docking Scores:
-3.78 -3.70 -3.79
Similarity Score:
4.12%
Best Match:
CHEMBL3361436
Prediction Result:
Inactive99.99%

NPSR1_HUMAN

Docking Scores:
-4.22 -4.64 -3.98
Similarity Score:
3.57%
Best Match:
CHEMBL1315807
Prediction Result:
Inactive99.99%

NPY1R_HUMAN

Docking Scores:
-4.39 -3.87 -3.86
Similarity Score:
3.45%
Best Match:
CHEMBL564810
Prediction Result:
N/A

NPY2R_HUMAN

Docking Scores:
-3.67 -3.65 -3.60
Similarity Score:
3.39%
Best Match:
CHEMBL3559801
Prediction Result:
Inactive99.99%

NPY4R_HUMAN

Docking Scores:
-4.15 -4.24 -3.90
Similarity Score:
3.39%
Best Match:
CHEMBL3559801
Prediction Result:
Inactive99.99%

NPY5R_HUMAN

Docking Scores:
-3.52 -3.59 -3.77
Similarity Score:
5.56%
Best Match:
CHEMBL331019
Prediction Result:
Inactive99.99%

OPRD_HUMAN

Docking Scores:
-3.61 -3.40 -3.50
Similarity Score:
5.21%
Best Match:
CHEMBL106880
Prediction Result:
N/A

OPRK_HUMAN

Docking Scores:
-3.86 -4.45 -4.34
Similarity Score:
6.06%
Best Match:
CHEMBL2432039
Prediction Result:
N/A

OPRM_HUMAN

Docking Scores:
-4.31 -3.33 -3.23
Similarity Score:
10.00%
Best Match:
CHEMBL123693
Prediction Result:
Inactive99.99%

OPRX_HUMAN

Docking Scores:
-3.80 -4.20 -3.94
Similarity Score:
4.92%
Best Match:
CHEMBL230033
Prediction Result:
N/A

PTAFR_HUMAN

Docking Scores:
-3.41 -3.26 -3.37
Similarity Score:
4.10%
Best Match:
CHEMBL300644
Prediction Result:
Inactive99.99%

TAAR1_HUMAN

Docking Scores:
-4.22 -4.37 -3.97
Similarity Score:
7.69%
Best Match:
CHEMBL1255743
Prediction Result:
Inactive99.99%

TSHR_HUMAN

Docking Scores:
-4.42 -4.16 -4.31
Similarity Score:
3.81%
Best Match:
CHEMBL3891546
Prediction Result:
Inactive99.99%

V1AR_HUMAN

Docking Scores:
-4.11 -3.46 -4.18
Similarity Score:
4.35%
Best Match:
CHEMBL196737
Prediction Result:
Inactive99.99%

VIPR1_HUMAN

Docking Scores:
-3.70 -4.05 -4.12
Similarity Score:
3.55%
Best Match:
CHEMBL1784685
Prediction Result:
N/A