ticagrelor_Y #44 Output Download CSV

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Gene Protein
 
  The docking scores are in the AutoDock Vina metric.
5HT1A_HUMAN

Docking Scores:
-8.35 -8.40 -8.39
Similarity Score:
31.91%
Best Match:
CHEMBL50903
Prediction Result:
Inactive68.91%

5HT1B_HUMAN

Docking Scores:
-8.73 -8.74 -9.14
Similarity Score:
33.04%
Best Match:
CHEMBL4064865
Prediction Result:
N/A

5HT1D_HUMAN

Docking Scores:
-9.39 -8.69 -9.06
Similarity Score:
31.30%
Best Match:
CHEMBL329207
Prediction Result:
N/A

5HT1E_HUMAN

Docking Scores:
-9.12 -8.10 -8.48
Similarity Score:
25.55%
Best Match:
CHEMBL103479
Prediction Result:
Inactive75.36%

5HT1F_HUMAN

Docking Scores:
-9.53 -9.33 -8.91
Similarity Score:
28.83%
Best Match:
CHEMBL319920
Prediction Result:
Inactive72.56%

5HT2A_HUMAN

Docking Scores:
-9.34 -8.86
Similarity Score:
33.05%
Best Match:
CHEMBL297302
Prediction Result:
N/A

5HT2B_HUMAN

Docking Scores:
-9.29 -9.78 -10.03
Similarity Score:
43.85%
Best Match:
CHEMBL3956531
Prediction Result:
N/A

5HT2C_HUMAN

Docking Scores:
-8.93 -9.16
Similarity Score:
43.85%
Best Match:
CHEMBL3956531
Prediction Result:
N/A

5HT4R_HUMAN

Docking Scores:
-9.01 -8.86 -8.49
Similarity Score:
30.27%
Best Match:
CHEMBL2179582
Prediction Result:
Inactive74.75%

5HT5A_HUMAN

Docking Scores:
-8.70 -7.95 -7.78
Similarity Score:
35.00%
Best Match:
CHEMBL3938006
Prediction Result:
Inactive66.47%

5HT6R_HUMAN

Docking Scores:
-8.89 -8.61 -8.36
Similarity Score:
38.36%
Best Match:
CHEMBL1170890
Prediction Result:
Active75.16%

5HT7R_HUMAN

Docking Scores:
-8.96 -9.41 -9.64
Similarity Score:
31.39%
Best Match:
CHEMBL182680
Prediction Result:
Inactive51.24%

AA1R_HUMAN

Docking Scores:
-8.83 -9.05 -8.02
Similarity Score:
51.46%
Best Match:
CHEMBL193421
Prediction Result:
N/A

AA2AR_HUMAN

Docking Scores:
-8.46 -8.74 -8.45
Similarity Score:
52.40%
Best Match:
CHEMBL458346
Prediction Result:
N/A

AA2BR_HUMAN

Docking Scores:
-9.14 -9.08 -9.15
Similarity Score:
43.57%
Best Match:
CHEMBL400189
Prediction Result:
Active71.37%

AA3R_HUMAN

Docking Scores:
-4.36 -1.67 -7.52
Similarity Score:
51.46%
Best Match:
CHEMBL193421
Prediction Result:
Inactive99.99%

ACM1_HUMAN

Docking Scores:
-8.35 0.57
Similarity Score:
34.44%
Best Match:
CHEMBL4096143
Prediction Result:
N/A

ACM2_HUMAN

Docking Scores:
-9.77 -8.65 -7.46
Similarity Score:
34.44%
Best Match:
CHEMBL4096143
Prediction Result:
Inactive56.52%

ACM3_HUMAN

Docking Scores:
-9.21 -10.43 -8.84
Similarity Score:
34.44%
Best Match:
CHEMBL4096143
Prediction Result:
Inactive59.11%

ACM4_HUMAN

Docking Scores:
-8.10 -8.59
Similarity Score:
35.34%
Best Match:
CHEMBL4094531
Prediction Result:
N/A

ACM5_HUMAN

Docking Scores:
-8.98 -9.27 -10.47
Similarity Score:
34.44%
Best Match:
CHEMBL4096143
Prediction Result:
Active67.73%

ACTHR_HUMAN

Docking Scores:
-10.25 -9.31 -9.06
Similarity Score:
N/A
Best Match:
N/A
Prediction Result:
N/A

ADA1D_HUMAN

Docking Scores:
-8.79 -7.59 -8.64
Similarity Score:
30.04%
Best Match:
CHEMBL511211
Prediction Result:
Inactive67.18%

ADA2A_HUMAN

Docking Scores:
-0.60 2.60 4.51
Similarity Score:
30.88%
Best Match:
CHEMBL1306
Prediction Result:
Inactive99.99%

ADA2B_HUMAN

Docking Scores:
-9.74 -8.12 -8.14
Similarity Score:
28.09%
Best Match:
CHEMBL420060
Prediction Result:
Active54.61%

ADA2C_HUMAN

Docking Scores:
2.90 8.18 3.50
Similarity Score:
30.88%
Best Match:
CHEMBL1306
Prediction Result:
Inactive99.99%

ADRB1_HUMAN

Docking Scores:
-9.25 -8.62 -8.81
Similarity Score:
30.88%
Best Match:
CHEMBL515349
Prediction Result:
Inactive68.36%

ADRB2_HUMAN

Docking Scores:
-8.48 -8.37 -10.01
Similarity Score:
36.11%
Best Match:
CHEMBL1325250
Prediction Result:
N/A

ADRB3_HUMAN

Docking Scores:
-9.26 -9.54 -9.05
Similarity Score:
30.88%
Best Match:
CHEMBL515349
Prediction Result:
N/A

AGTR2_HUMAN

Docking Scores:
-8.50 -8.48 -8.34
Similarity Score:
31.23%
Best Match:
CHEMBL288705
Prediction Result:
N/A

BKRB2_HUMAN

Docking Scores:
-9.46 -9.78 -8.97
Similarity Score:
28.71%
Best Match:
CHEMBL413386
Prediction Result:
Inactive76.47%

CALCR_HUMAN

Docking Scores:
-7.90 -8.42 -8.38
Similarity Score:
25.16%
Best Match:
CHEMBL2369905
Prediction Result:
Inactive98.60%

CCKAR_HUMAN

Docking Scores:
-8.48 -9.09 -8.61
Similarity Score:
28.38%
Best Match:
CHEMBL327656
Prediction Result:
Inactive77.49%

CCR1_HUMAN

Docking Scores:
-8.64 -8.97 -8.53
Similarity Score:
27.60%
Best Match:
CHEMBL308473
Prediction Result:
Inactive74.60%

CCR2_HUMAN

Docking Scores:
-8.64 -7.55 -7.39
Similarity Score:
32.58%
Best Match:
CHEMBL2338390
Prediction Result:
Inactive69.22%

CCR4_HUMAN

Docking Scores:
-7.94 -7.79 -8.54
Similarity Score:
36.22%
Best Match:
CHEMBL499852
Prediction Result:
Inactive66.21%

CCR5_HUMAN

Docking Scores:
-8.37 -8.61 -8.05
Similarity Score:
36.71%
Best Match:
CHEMBL342842
Prediction Result:
Inactive92.42%

CLTR1_HUMAN

Docking Scores:
-8.35 -9.46 -9.25
Similarity Score:
28.47%
Best Match:
CHEMBL3401686
Prediction Result:
Inactive84.08%

CNR1_HUMAN

Docking Scores:
-8.26 -9.19 -8.85
Similarity Score:
37.40%
Best Match:
CHEMBL3353834
Prediction Result:
N/A

CNR2_HUMAN

Docking Scores:
-8.92 -9.41
Similarity Score:
40.15%
Best Match:
CHEMBL3092887
Prediction Result:
N/A

CXCR1_HUMAN

Docking Scores:
-0.46
Similarity Score:
25.95%
Best Match:
CHEMBL3906175
Prediction Result:
N/A

CXCR2_HUMAN

Docking Scores:
-8.77 -8.34 -8.16
Similarity Score:
43.78%
Best Match:
CHEMBL257025
Prediction Result:
Active70.43%

CXCR3_HUMAN

Docking Scores:
-9.06 -9.06 -9.03
Similarity Score:
34.66%
Best Match:
CHEMBL570919
Prediction Result:
Inactive85.16%

CXCR4_HUMAN

Docking Scores:
-8.35 -7.15 -8.02
Similarity Score:
29.63%
Best Match:
CHEMBL3923006
Prediction Result:
N/A

DRD1_HUMAN

Docking Scores:
-9.32 -8.79 -8.75
Similarity Score:
31.18%
Best Match:
CHEMBL3099235
Prediction Result:
Inactive56.81%

DRD2_HUMAN

Docking Scores:
-8.00
Similarity Score:
35.91%
Best Match:
CHEMBL1258949
Prediction Result:
N/A

DRD3_HUMAN

Docking Scores:
-8.58
Similarity Score:
35.91%
Best Match:
CHEMBL1258949
Prediction Result:
N/A

DRD4_HUMAN

Docking Scores:
-9.71 -10.25
Similarity Score:
35.14%
Best Match:
CHEMBL3318851
Prediction Result:
N/A

DRD5_HUMAN

Docking Scores:
-8.54 -9.07 -8.54
Similarity Score:
26.64%
Best Match:
CHEMBL3577346
Prediction Result:
Inactive50.98%

EDNRA_HUMAN

Docking Scores:
-8.15 -7.91 -8.04
Similarity Score:
30.16%
Best Match:
CHEMBL2163697
Prediction Result:
Inactive66.94%

GABR1_HUMAN

Docking Scores:
9.69 3.37 28.32
Similarity Score:
30.90%
Best Match:
CHEMBL392394
Prediction Result:
Inactive99.99%

GASR_HUMAN

Docking Scores:
-8.59 -8.99 -7.43
Similarity Score:
30.32%
Best Match:
CHEMBL2153191
Prediction Result:
Inactive75.91%

GRM1_HUMAN

Docking Scores:
-9.59 -8.44 -5.50
Similarity Score:
37.94%
Best Match:
CHEMBL3786530
Prediction Result:
Inactive50.15%

GRM2_HUMAN

Docking Scores:
6.82 6.22 8.34
Similarity Score:
33.69%
Best Match:
CHEMBL2206444
Prediction Result:
Inactive99.99%

GRM3_HUMAN

Docking Scores:
0.70 1.42 -2.19
Similarity Score:
30.69%
Best Match:
CHEMBL3948272
Prediction Result:
Inactive99.99%

GRM4_HUMAN

Docking Scores:
5.82 5.94 6.30
Similarity Score:
29.06%
Best Match:
CHEMBL4090015
Prediction Result:
Inactive99.99%

GRM5_HUMAN

Docking Scores:
-6.92 -4.14 -3.02
Similarity Score:
34.30%
Best Match:
CHEMBL4072424
Prediction Result:
N/A

GRM6_HUMAN

Docking Scores:
-2.46 -4.63 -0.10
Similarity Score:
24.56%
Best Match:
CHEMBL1585091
Prediction Result:
Inactive99.99%

GRM7_HUMAN

Docking Scores:
1.36 1.98 -2.73
Similarity Score:
28.94%
Best Match:
CHEMBL3561038
Prediction Result:
Inactive99.99%

GRM8_HUMAN

Docking Scores:
6.93 6.98 7.83
Similarity Score:
28.94%
Best Match:
CHEMBL3561038
Prediction Result:
Inactive99.99%

HRH1_HUMAN

Docking Scores:
-7.84
Similarity Score:
34.81%
Best Match:
CHEMBL96141
Prediction Result:
N/A

HRH2_HUMAN

Docking Scores:
-10.22 -8.77 -9.31
Similarity Score:
27.80%
Best Match:
CHEMBL199824
Prediction Result:
Active84.22%

HRH3_HUMAN

Docking Scores:
-8.38 -8.75 -8.90
Similarity Score:
30.15%
Best Match:
CHEMBL2441082
Prediction Result:
Inactive58.73%

HRH4_HUMAN

Docking Scores:
-9.06 -8.66 -8.52
Similarity Score:
32.16%
Best Match:
CHEMBL1915533
Prediction Result:
Inactive69.17%

MC3R_HUMAN

Docking Scores:
-8.92 -8.51 -8.10
Similarity Score:
34.68%
Best Match:
CHEMBL1089483
Prediction Result:
Inactive64.43%

MC4R_HUMAN

Docking Scores:
-6.84 -7.17 -8.55
Similarity Score:
34.68%
Best Match:
CHEMBL1089483
Prediction Result:
Inactive51.43%

MC5R_HUMAN

Docking Scores:
-6.94 -8.51 -5.63
Similarity Score:
30.06%
Best Match:
CHEMBL2113039
Prediction Result:
Inactive90.46%

MSHR_HUMAN

Docking Scores:
-8.31 -7.71 -9.45
Similarity Score:
30.77%
Best Match:
CHEMBL2113043
Prediction Result:
Inactive62.78%

NK1R_HUMAN

Docking Scores:
-9.29 -8.38 -8.13
Similarity Score:
34.26%
Best Match:
CHEMBL214472
Prediction Result:
N/A

NK2R_HUMAN

Docking Scores:
-8.66 -8.72 -8.93
Similarity Score:
32.92%
Best Match:
CHEMBL3360201
Prediction Result:
Inactive93.72%

NPBW1_HUMAN

Docking Scores:
-8.83 -7.98 -8.91
Similarity Score:
26.05%
Best Match:
CHEMBL1968640
Prediction Result:
Inactive81.28%

NPFF1_HUMAN

Docking Scores:
-8.37 -8.03 -8.08
Similarity Score:
24.73%
Best Match:
CHEMBL2208301
Prediction Result:
Inactive68.08%

NPSR1_HUMAN

Docking Scores:
-8.69 -10.07 -9.61
Similarity Score:
33.33%
Best Match:
CHEMBL1800088
Prediction Result:
Inactive53.00%

NPY1R_HUMAN

Docking Scores:
-10.06 -8.76 -8.39
Similarity Score:
32.84%
Best Match:
CHEMBL347807
Prediction Result:
N/A

NPY2R_HUMAN

Docking Scores:
-8.78 -8.27 -8.60
Similarity Score:
30.32%
Best Match:
CHEMBL3104112
Prediction Result:
Inactive93.61%

NPY4R_HUMAN

Docking Scores:
-9.09 -9.79 -9.03
Similarity Score:
27.04%
Best Match:
CHEMBL3099722
Prediction Result:
Inactive98.46%

NPY5R_HUMAN

Docking Scores:
-8.31 -7.88 -7.96
Similarity Score:
34.63%
Best Match:
CHEMBL595790
Prediction Result:
Inactive82.51%

OPRD_HUMAN

Docking Scores:
-7.99 -7.37 -7.61
Similarity Score:
32.54%
Best Match:
CHEMBL463518
Prediction Result:
N/A

OPRK_HUMAN

Docking Scores:
-9.99 -8.51 -9.01
Similarity Score:
41.25%
Best Match:
CHEMBL95302
Prediction Result:
N/A

OPRM_HUMAN

Docking Scores:
-8.95 -8.26 -8.48
Similarity Score:
36.30%
Best Match:
CHEMBL572393
Prediction Result:
Inactive73.52%

OPRX_HUMAN

Docking Scores:
-8.50 -7.93 -8.19
Similarity Score:
41.25%
Best Match:
CHEMBL95302
Prediction Result:
N/A

PTAFR_HUMAN

Docking Scores:
-7.80 -8.22 -8.18
Similarity Score:
32.02%
Best Match:
CHEMBL37358
Prediction Result:
Inactive65.84%

TAAR1_HUMAN

Docking Scores:
-8.80 -8.84 -9.33
Similarity Score:
54.81%
Best Match:
CHEMBL1466922
Prediction Result:
Active60.50%

TSHR_HUMAN

Docking Scores:
-9.25 -9.90 -8.65
Similarity Score:
26.67%
Best Match:
CHEMBL1718442
Prediction Result:
Inactive96.59%

V1AR_HUMAN

Docking Scores:
-8.55 -9.02 -8.99
Similarity Score:
30.54%
Best Match:
CHEMBL592732
Prediction Result:
Inactive82.32%

VIPR1_HUMAN

Docking Scores:
-8.84 -9.37 -8.71
Similarity Score:
27.44%
Best Match:
CHEMBL3736134
Prediction Result:
N/A