chongqian #65 Output Download CSV

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

Docking Scores:
-7.95 -7.15 -7.65
Similarity Score:
11.11%
Best Match:
CHEMBL146942
Prediction Result:
Inactive94.71%

5HT1B_HUMAN

Docking Scores:
-8.29 -8.35 -8.35
Similarity Score:
11.11%
Best Match:
CHEMBL146942
Prediction Result:
N/A

5HT1D_HUMAN

Docking Scores:
-8.06 -7.33 -8.53
Similarity Score:
8.57%
Best Match:
CHEMBL414420
Prediction Result:
N/A

5HT1E_HUMAN

Docking Scores:
-7.46 -7.67 -7.48
Similarity Score:
4.62%
Best Match:
CHEMBL22744
Prediction Result:
Inactive50.85%

5HT1F_HUMAN

Docking Scores:
-7.93 -8.21 -8.29
Similarity Score:
4.90%
Best Match:
CHEMBL361061
Prediction Result:
Inactive78.32%

5HT2A_HUMAN

Docking Scores:
-9.07 -9.05
Similarity Score:
20.00%
Best Match:
CHEMBL334255
Prediction Result:
N/A

5HT2B_HUMAN

Docking Scores:
-7.68 -7.69 -8.08
Similarity Score:
14.63%
Best Match:
CHEMBL547
Prediction Result:
N/A

5HT2C_HUMAN

Docking Scores:
-7.76 -9.30
Similarity Score:
20.00%
Best Match:
CHEMBL334255
Prediction Result:
N/A

5HT4R_HUMAN

Docking Scores:
-8.77 -8.84 -7.95
Similarity Score:
6.80%
Best Match:
CHEMBL556438
Prediction Result:
Inactive92.56%

5HT5A_HUMAN

Docking Scores:
-8.26 -7.80 -7.20
Similarity Score:
7.06%
Best Match:
CHEMBL191460
Prediction Result:
Inactive89.72%

5HT6R_HUMAN

Docking Scores:
-8.36 -7.66 -8.34
Similarity Score:
17.24%
Best Match:
CHEMBL98511
Prediction Result:
Inactive70.56%

5HT7R_HUMAN

Docking Scores:
-7.67 -7.93 -7.75
Similarity Score:
11.11%
Best Match:
CHEMBL146942
Prediction Result:
Inactive73.72%

AA1R_HUMAN

Docking Scores:
-8.60 -7.81 -8.27
Similarity Score:
16.22%
Best Match:
CHEMBL3314905
Prediction Result:
N/A

AA2AR_HUMAN

Docking Scores:
-8.32 -8.24 -8.89
Similarity Score:
16.22%
Best Match:
CHEMBL3314905
Prediction Result:
N/A

AA2BR_HUMAN

Docking Scores:
-6.98 -8.06 -7.20
Similarity Score:
6.60%
Best Match:
CHEMBL3093327
Prediction Result:
Inactive80.72%

AA3R_HUMAN

Docking Scores:
-8.85 -9.08 -7.77
Similarity Score:
16.22%
Best Match:
CHEMBL3314905
Prediction Result:
Active62.05%

ACM1_HUMAN

Docking Scores:
-9.19 -8.17
Similarity Score:
25.00%
Best Match:
CHEMBL75880
Prediction Result:
N/A

ACM2_HUMAN

Docking Scores:
-7.96 -7.37 -8.84
Similarity Score:
28.00%
Best Match:
CHEMBL2432039
Prediction Result:
Inactive58.12%

ACM3_HUMAN

Docking Scores:
-7.55 -8.75 -9.05
Similarity Score:
28.00%
Best Match:
CHEMBL2432039
Prediction Result:
Inactive58.82%

ACM4_HUMAN

Docking Scores:
-9.21 -8.34
Similarity Score:
28.00%
Best Match:
CHEMBL2432039
Prediction Result:
N/A

ACM5_HUMAN

Docking Scores:
-8.31 -8.54 -8.53
Similarity Score:
28.00%
Best Match:
CHEMBL2432039
Prediction Result:
Active62.76%

ACTHR_HUMAN

Docking Scores:
-9.72 -9.28 -8.02
Similarity Score:
N/A
Best Match:
N/A
Prediction Result:
N/A

ADA1D_HUMAN

Docking Scores:
-7.17 -7.85 -7.68
Similarity Score:
11.11%
Best Match:
CHEMBL533979
Prediction Result:
Inactive82.28%

ADA2A_HUMAN

Docking Scores:
-7.53 -7.71 -5.17
Similarity Score:
20.00%
Best Match:
CHEMBL334255
Prediction Result:
Inactive62.19%

ADA2B_HUMAN

Docking Scores:
-9.18 -9.24 -8.65
Similarity Score:
20.00%
Best Match:
CHEMBL334255
Prediction Result:
Inactive63.27%

ADA2C_HUMAN

Docking Scores:
-3.92 -3.29 -3.50
Similarity Score:
28.00%
Best Match:
CHEMBL2432039
Prediction Result:
Inactive99.99%

ADRB1_HUMAN

Docking Scores:
-8.24 -8.51 -8.32
Similarity Score:
7.06%
Best Match:
CHEMBL236514
Prediction Result:
Inactive75.19%

ADRB2_HUMAN

Docking Scores:
-7.40 -8.69 -8.91
Similarity Score:
8.82%
Best Match:
CHEMBL1332942
Prediction Result:
N/A

ADRB3_HUMAN

Docking Scores:
-8.31 -8.97 -8.14
Similarity Score:
6.25%
Best Match:
CHEMBL101591
Prediction Result:
N/A

AGTR2_HUMAN

Docking Scores:
-7.82 -8.00 -7.89
Similarity Score:
4.12%
Best Match:
CHEMBL376286
Prediction Result:
N/A

BKRB2_HUMAN

Docking Scores:
-7.89 -8.17 -8.05
Similarity Score:
9.38%
Best Match:
CHEMBL109172
Prediction Result:
Inactive96.19%

CALCR_HUMAN

Docking Scores:
-7.53 -7.36 -7.22
Similarity Score:
3.50%
Best Match:
CHEMBL2369895
Prediction Result:
Inactive98.82%

CCKAR_HUMAN

Docking Scores:
-7.80 -7.56 -8.43
Similarity Score:
6.31%
Best Match:
CHEMBL258486
Prediction Result:
Inactive99.08%

CCR1_HUMAN

Docking Scores:
-8.55 -8.49 -7.13
Similarity Score:
9.52%
Best Match:
CHEMBL33761
Prediction Result:
Inactive97.10%

CCR2_HUMAN

Docking Scores:
-7.41 -7.29 -7.11
Similarity Score:
9.72%
Best Match:
CHEMBL494399
Prediction Result:
Inactive98.54%

CCR4_HUMAN

Docking Scores:
-6.84 -6.94 -6.80
Similarity Score:
7.53%
Best Match:
CHEMBL459465
Prediction Result:
Inactive88.22%

CCR5_HUMAN

Docking Scores:
-7.33 -7.39 -7.13
Similarity Score:
10.00%
Best Match:
CHEMBL321267
Prediction Result:
Inactive99.80%

CLTR1_HUMAN

Docking Scores:
-7.39 -8.40 -8.33
Similarity Score:
6.82%
Best Match:
CHEMBL22776
Prediction Result:
Inactive95.19%

CNR1_HUMAN

Docking Scores:
-8.08 -8.40 -9.28
Similarity Score:
13.33%
Best Match:
CHEMBL483143
Prediction Result:
N/A

CNR2_HUMAN

Docking Scores:
-9.35 -9.21
Similarity Score:
27.27%
Best Match:
CHEMBL3360190
Prediction Result:
N/A

CXCR1_HUMAN

Docking Scores:
-7.60
Similarity Score:
4.84%
Best Match:
CHEMBL191413
Prediction Result:
N/A

CXCR2_HUMAN

Docking Scores:
-8.31 -6.28 -6.18
Similarity Score:
5.08%
Best Match:
CHEMBL4103634
Prediction Result:
Inactive85.64%

CXCR3_HUMAN

Docking Scores:
-7.72 -7.82 -7.72
Similarity Score:
11.76%
Best Match:
CHEMBL2205723
Prediction Result:
Inactive99.04%

CXCR4_HUMAN

Docking Scores:
-7.41 -5.52 -6.93
Similarity Score:
9.80%
Best Match:
CHEMBL2170299
Prediction Result:
N/A

DRD1_HUMAN

Docking Scores:
-8.70 -7.82 -8.42
Similarity Score:
11.11%
Best Match:
CHEMBL21731
Prediction Result:
Inactive74.13%

DRD2_HUMAN

Docking Scores:
-9.18
Similarity Score:
11.32%
Best Match:
CHEMBL162762
Prediction Result:
N/A

DRD3_HUMAN

Docking Scores:
-7.53
Similarity Score:
12.77%
Best Match:
CHEMBL1123
Prediction Result:
N/A

DRD4_HUMAN

Docking Scores:
-7.90 -7.84
Similarity Score:
11.32%
Best Match:
CHEMBL162762
Prediction Result:
N/A

DRD5_HUMAN

Docking Scores:
-8.42 -8.82 -8.00
Similarity Score:
11.11%
Best Match:
CHEMBL21731
Prediction Result:
Inactive78.53%

EDNRA_HUMAN

Docking Scores:
-6.57 -7.23 -7.00
Similarity Score:
6.76%
Best Match:
CHEMBL286808
Prediction Result:
Inactive82.37%

GABR1_HUMAN

Docking Scores:
-6.00 -5.92 -4.85
Similarity Score:
5.88%
Best Match:
CHEMBL2391908
Prediction Result:
Inactive74.50%

GASR_HUMAN

Docking Scores:
-7.43 -7.85 -5.79
Similarity Score:
6.52%
Best Match:
CHEMBL537171
Prediction Result:
Inactive93.58%

GRM1_HUMAN

Docking Scores:
-7.82 -9.40 -9.23
Similarity Score:
11.11%
Best Match:
CHEMBL1270719
Prediction Result:
Inactive76.92%

GRM2_HUMAN

Docking Scores:
-7.91 -8.64 -8.38
Similarity Score:
18.18%
Best Match:
CHEMBL482081
Prediction Result:
Inactive60.34%

GRM3_HUMAN

Docking Scores:
-11.10 -10.79 -10.87
Similarity Score:
16.67%
Best Match:
CHEMBL2112586
Prediction Result:
Inactive72.96%

GRM4_HUMAN

Docking Scores:
-5.64 -5.47 -5.74
Similarity Score:
8.82%
Best Match:
CHEMBL578358
Prediction Result:
Inactive95.76%

GRM5_HUMAN

Docking Scores:
-9.00 -8.86 -8.24
Similarity Score:
17.14%
Best Match:
CHEMBL1783985
Prediction Result:
N/A

GRM6_HUMAN

Docking Scores:
-9.45 -9.12 -9.31
Similarity Score:
14.71%
Best Match:
CHEMBL280563
Prediction Result:
Inactive97.99%

GRM7_HUMAN

Docking Scores:
-8.31 -7.50 -7.66
Similarity Score:
6.82%
Best Match:
CHEMBL432038
Prediction Result:
Inactive100.00%

GRM8_HUMAN

Docking Scores:
-5.16 -5.42 -5.54
Similarity Score:
14.71%
Best Match:
CHEMBL280563
Prediction Result:
Inactive98.32%

HRH1_HUMAN

Docking Scores:
-10.06
Similarity Score:
11.11%
Best Match:
CHEMBL21731
Prediction Result:
N/A

HRH2_HUMAN

Docking Scores:
-9.53 -7.33 -7.56
Similarity Score:
11.11%
Best Match:
CHEMBL21731
Prediction Result:
Active74.05%

HRH3_HUMAN

Docking Scores:
-7.11 -7.22 -7.45
Similarity Score:
33.33%
Best Match:
CHEMBL1190
Prediction Result:
Active56.02%

HRH4_HUMAN

Docking Scores:
-8.16 -7.50 -8.09
Similarity Score:
12.77%
Best Match:
CHEMBL1824228
Prediction Result:
Inactive75.51%

MC3R_HUMAN

Docking Scores:
-8.44 -7.38 -7.04
Similarity Score:
8.57%
Best Match:
CHEMBL407135
Prediction Result:
Inactive82.96%

MC4R_HUMAN

Docking Scores:
-6.64 -6.60 -6.16
Similarity Score:
12.00%
Best Match:
CHEMBL1499792
Prediction Result:
Inactive97.37%

MC5R_HUMAN

Docking Scores:
-6.16 -8.43 -5.70
Similarity Score:
8.57%
Best Match:
CHEMBL407135
Prediction Result:
Inactive86.97%

MSHR_HUMAN

Docking Scores:
-7.87 -7.76 -8.35
Similarity Score:
6.19%
Best Match:
CHEMBL1761872
Prediction Result:
Inactive80.86%

NK1R_HUMAN

Docking Scores:
-7.66 -8.74 -8.06
Similarity Score:
10.34%
Best Match:
CHEMBL143813
Prediction Result:
N/A

NK2R_HUMAN

Docking Scores:
-7.54 -7.55 -7.71
Similarity Score:
6.78%
Best Match:
CHEMBL17157
Prediction Result:
Inactive99.69%

NPBW1_HUMAN

Docking Scores:
-7.34 -7.01 -6.89
Similarity Score:
4.03%
Best Match:
CHEMBL1940538
Prediction Result:
Inactive97.20%

NPFF1_HUMAN

Docking Scores:
-7.42 -6.91 -7.24
Similarity Score:
6.82%
Best Match:
CHEMBL3360829
Prediction Result:
Inactive96.45%

NPSR1_HUMAN

Docking Scores:
-7.83 -8.89 -7.42
Similarity Score:
5.66%
Best Match:
CHEMBL1210242
Prediction Result:
Inactive85.49%

NPY1R_HUMAN

Docking Scores:
-8.63 -8.62 -7.36
Similarity Score:
9.43%
Best Match:
CHEMBL3559801
Prediction Result:
N/A

NPY2R_HUMAN

Docking Scores:
-7.71 -7.22 -7.54
Similarity Score:
9.43%
Best Match:
CHEMBL3559801
Prediction Result:
Inactive99.59%

NPY4R_HUMAN

Docking Scores:
-7.11 -7.46 -7.14
Similarity Score:
9.43%
Best Match:
CHEMBL3559801
Prediction Result:
Active70.99%

NPY5R_HUMAN

Docking Scores:
-7.28 -7.43 -7.48
Similarity Score:
9.43%
Best Match:
CHEMBL3559801
Prediction Result:
Inactive99.07%

OPRD_HUMAN

Docking Scores:
-7.78 -6.42 -6.68
Similarity Score:
12.50%
Best Match:
CHEMBL4082678
Prediction Result:
N/A

OPRK_HUMAN

Docking Scores:
-8.74 -8.81 -7.65
Similarity Score:
28.00%
Best Match:
CHEMBL2432039
Prediction Result:
N/A

OPRM_HUMAN

Docking Scores:
-7.83 -6.32 -8.09
Similarity Score:
46.15%
Best Match:
CHEMBL123693
Prediction Result:
Inactive77.32%

OPRX_HUMAN

Docking Scores:
-6.86 -7.27 -7.32
Similarity Score:
12.24%
Best Match:
CHEMBL53256
Prediction Result:
N/A

PTAFR_HUMAN

Docking Scores:
-7.88 -8.92 -9.70
Similarity Score:
8.00%
Best Match:
CHEMBL514432
Prediction Result:
Inactive78.85%

TAAR1_HUMAN

Docking Scores:
-8.81 -8.07 -8.36
Similarity Score:
14.00%
Best Match:
CHEMBL1734759
Prediction Result:
Active56.54%

TSHR_HUMAN

Docking Scores:
-8.39 -8.59 -8.32
Similarity Score:
6.12%
Best Match:
CHEMBL3908443
Prediction Result:
Inactive98.25%

V1AR_HUMAN

Docking Scores:
-7.09 -6.91 -8.25
Similarity Score:
8.57%
Best Match:
CHEMBL1083095
Prediction Result:
Inactive99.20%

VIPR1_HUMAN

Docking Scores:
-7.70 -7.86 -7.71
Similarity Score:
3.82%
Best Match:
CHEMBL483749
Prediction Result:
N/A