MM-24 #12 Output Download CSV

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

Docking Scores:
-8.46 -8.60 -7.87
Similarity Score:
30.21%
Best Match:
CHEMBL3656920
Prediction Result:
Inactive67.67%

5HT1B_HUMAN

Docking Scores:
-9.11 -8.90 -8.57
Similarity Score:
23.65%
Best Match:
CHEMBL605785
Prediction Result:
N/A

5HT1D_HUMAN

Docking Scores:
-8.87 -8.51 -8.20
Similarity Score:
23.60%
Best Match:
CHEMBL110318
Prediction Result:
N/A

5HT1E_HUMAN

Docking Scores:
-8.23 -9.19 -8.48
Similarity Score:
14.62%
Best Match:
CHEMBL29410
Prediction Result:
Inactive68.26%

5HT1F_HUMAN

Docking Scores:
-8.86 -8.92 -8.71
Similarity Score:
17.96%
Best Match:
CHEMBL105091
Prediction Result:
Inactive81.25%

5HT2A_HUMAN

Docking Scores:
-8.56 -8.00
Similarity Score:
29.14%
Best Match:
CHEMBL1909065
Prediction Result:
N/A

5HT2B_HUMAN

Docking Scores:
-8.13 -8.74 -8.76
Similarity Score:
30.00%
Best Match:
CHEMBL1629810
Prediction Result:
N/A

5HT2C_HUMAN

Docking Scores:
-8.18 -8.52
Similarity Score:
30.00%
Best Match:
CHEMBL1629810
Prediction Result:
N/A

5HT4R_HUMAN

Docking Scores:
-9.35 -8.95 -9.00
Similarity Score:
27.27%
Best Match:
CHEMBL2152922
Prediction Result:
Inactive77.77%

5HT5A_HUMAN

Docking Scores:
-9.66 -7.80 -7.62
Similarity Score:
18.89%
Best Match:
CHEMBL538029
Prediction Result:
Inactive91.58%

5HT6R_HUMAN

Docking Scores:
-8.68 -8.77 -8.63
Similarity Score:
29.14%
Best Match:
CHEMBL1909065
Prediction Result:
Active55.38%

5HT7R_HUMAN

Docking Scores:
-8.96 -8.27 -8.60
Similarity Score:
22.58%
Best Match:
CHEMBL2401935
Prediction Result:
Inactive75.06%

AA1R_HUMAN

Docking Scores:
-8.23 -7.91 -7.86
Similarity Score:
26.40%
Best Match:
CHEMBL1990267
Prediction Result:
N/A

AA2AR_HUMAN

Docking Scores:
-7.45 -7.41 -8.43
Similarity Score:
29.50%
Best Match:
CHEMBL2042062
Prediction Result:
N/A

AA2BR_HUMAN

Docking Scores:
-9.01 -9.28 -8.53
Similarity Score:
26.40%
Best Match:
CHEMBL1990267
Prediction Result:
Inactive58.26%

AA3R_HUMAN

Docking Scores:
-6.53 -0.92 -7.89
Similarity Score:
41.85%
Best Match:
CHEMBL76273
Prediction Result:
Inactive99.99%

ACM1_HUMAN

Docking Scores:
-8.26 -0.64
Similarity Score:
26.52%
Best Match:
CHEMBL490
Prediction Result:
N/A

ACM2_HUMAN

Docking Scores:
-8.40 -8.60 -6.52
Similarity Score:
26.52%
Best Match:
CHEMBL490
Prediction Result:
Inactive74.40%

ACM3_HUMAN

Docking Scores:
-8.70 -8.95 -8.92
Similarity Score:
26.52%
Best Match:
CHEMBL490
Prediction Result:
Inactive70.50%

ACM4_HUMAN

Docking Scores:
-7.48 -7.69
Similarity Score:
26.52%
Best Match:
CHEMBL490
Prediction Result:
N/A

ACM5_HUMAN

Docking Scores:
-7.36 -7.94 -9.14
Similarity Score:
26.52%
Best Match:
CHEMBL490
Prediction Result:
Active69.23%

ACTHR_HUMAN

Docking Scores:
-7.43 -8.04 -7.87
Similarity Score:
N/A
Best Match:
N/A
Prediction Result:
N/A

ADA1D_HUMAN

Docking Scores:
-8.55 -7.13 -8.31
Similarity Score:
29.14%
Best Match:
CHEMBL1909065
Prediction Result:
Inactive63.47%

ADA2A_HUMAN

Docking Scores:
0.38 -2.00 1.46
Similarity Score:
29.14%
Best Match:
CHEMBL1909065
Prediction Result:
Inactive99.99%

ADA2B_HUMAN

Docking Scores:
-9.36 -8.65 -8.60
Similarity Score:
29.14%
Best Match:
CHEMBL1909065
Prediction Result:
Active65.54%

ADA2C_HUMAN

Docking Scores:
2.20 4.77 6.30
Similarity Score:
29.14%
Best Match:
CHEMBL1909065
Prediction Result:
Inactive99.99%

ADRB1_HUMAN

Docking Scores:
-9.60 -8.93 -9.58
Similarity Score:
24.74%
Best Match:
CHEMBL459862
Prediction Result:
Inactive63.06%

ADRB2_HUMAN

Docking Scores:
-8.38 -8.67 -9.38
Similarity Score:
27.23%
Best Match:
CHEMBL1545591
Prediction Result:
N/A

ADRB3_HUMAN

Docking Scores:
-9.19 -8.94 -8.99
Similarity Score:
24.74%
Best Match:
CHEMBL459862
Prediction Result:
N/A

AGTR2_HUMAN

Docking Scores:
-7.83 -8.41 -8.02
Similarity Score:
18.61%
Best Match:
CHEMBL215160
Prediction Result:
N/A

BKRB2_HUMAN

Docking Scores:
-9.04 -8.55 -9.01
Similarity Score:
23.11%
Best Match:
CHEMBL41446
Prediction Result:
Inactive87.73%

CALCR_HUMAN

Docking Scores:
-7.99 -8.32 -8.34
Similarity Score:
16.91%
Best Match:
CHEMBL2369886
Prediction Result:
Inactive98.71%

CCKAR_HUMAN

Docking Scores:
-8.03 -7.85 -8.26
Similarity Score:
18.18%
Best Match:
CHEMBL1774037
Prediction Result:
Inactive97.38%

CCR1_HUMAN

Docking Scores:
-7.41 -8.51 -7.53
Similarity Score:
28.29%
Best Match:
CHEMBL3099955
Prediction Result:
Inactive96.47%

CCR2_HUMAN

Docking Scores:
-7.21 -7.51 -7.03
Similarity Score:
23.91%
Best Match:
CHEMBL3263272
Prediction Result:
Inactive95.40%

CCR4_HUMAN

Docking Scores:
-8.23 -8.58 -9.00
Similarity Score:
29.21%
Best Match:
CHEMBL605581
Prediction Result:
Inactive71.26%

CCR5_HUMAN

Docking Scores:
-7.27 -7.43 -7.30
Similarity Score:
26.32%
Best Match:
CHEMBL1078712
Prediction Result:
Inactive99.58%

CLTR1_HUMAN

Docking Scores:
-9.31 -9.37 -8.82
Similarity Score:
32.10%
Best Match:
CHEMBL1213920
Prediction Result:
Inactive82.20%

CNR1_HUMAN

Docking Scores:
-7.47 -7.86 -9.08
Similarity Score:
31.71%
Best Match:
CHEMBL1923760
Prediction Result:
N/A

CNR2_HUMAN

Docking Scores:
-8.36 -9.16
Similarity Score:
33.95%
Best Match:
CHEMBL3410729
Prediction Result:
N/A

CXCR1_HUMAN

Docking Scores:
-3.41
Similarity Score:
17.94%
Best Match:
CHEMBL518030
Prediction Result:
N/A

CXCR2_HUMAN

Docking Scores:
-8.78 -8.65 -7.83
Similarity Score:
21.72%
Best Match:
CHEMBL3645131
Prediction Result:
Inactive54.64%

CXCR3_HUMAN

Docking Scores:
-8.95 -8.71 -8.77
Similarity Score:
23.47%
Best Match:
CHEMBL3956593
Prediction Result:
Inactive94.24%

CXCR4_HUMAN

Docking Scores:
-8.77 -7.21 -7.86
Similarity Score:
19.41%
Best Match:
CHEMBL1221944
Prediction Result:
N/A

DRD1_HUMAN

Docking Scores:
-8.43 -8.76 -9.35
Similarity Score:
23.83%
Best Match:
CHEMBL182379
Prediction Result:
Inactive62.82%

DRD2_HUMAN

Docking Scores:
-7.58
Similarity Score:
29.14%
Best Match:
CHEMBL1909065
Prediction Result:
N/A

DRD3_HUMAN

Docking Scores:
-7.96
Similarity Score:
29.14%
Best Match:
CHEMBL1909065
Prediction Result:
N/A

DRD4_HUMAN

Docking Scores:
-9.04 -9.13
Similarity Score:
26.61%
Best Match:
CHEMBL196476
Prediction Result:
N/A

DRD5_HUMAN

Docking Scores:
-7.60 -9.71 -8.93
Similarity Score:
20.35%
Best Match:
CHEMBL1258223
Prediction Result:
Inactive74.10%

EDNRA_HUMAN

Docking Scores:
-7.24 -7.05 -7.87
Similarity Score:
29.79%
Best Match:
CHEMBL431651
Prediction Result:
Inactive75.10%

GABR1_HUMAN

Docking Scores:
-0.06 0.78 21.51
Similarity Score:
11.90%
Best Match:
CHEMBL2391908
Prediction Result:
Inactive99.99%

GASR_HUMAN

Docking Scores:
-7.93 -7.64 -7.27
Similarity Score:
25.86%
Best Match:
CHEMBL452991
Prediction Result:
Inactive84.54%

GRM1_HUMAN

Docking Scores:
-8.84 -8.71 -8.53
Similarity Score:
21.08%
Best Match:
CHEMBL174588
Prediction Result:
Inactive68.77%

GRM2_HUMAN

Docking Scores:
0.54 -1.98 0.19
Similarity Score:
27.12%
Best Match:
CHEMBL186584
Prediction Result:
Inactive99.99%

GRM3_HUMAN

Docking Scores:
-2.93 -3.70 -4.68
Similarity Score:
23.84%
Best Match:
CHEMBL3955458
Prediction Result:
Inactive99.99%

GRM4_HUMAN

Docking Scores:
5.92 8.38 7.39
Similarity Score:
24.80%
Best Match:
CHEMBL4105462
Prediction Result:
Inactive99.99%

GRM5_HUMAN

Docking Scores:
-6.51 -6.89 -6.77
Similarity Score:
23.12%
Best Match:
CHEMBL1348198
Prediction Result:
N/A

GRM6_HUMAN

Docking Scores:
-2.67 -5.21 -2.62
Similarity Score:
17.68%
Best Match:
CHEMBL275079
Prediction Result:
Inactive99.99%

GRM7_HUMAN

Docking Scores:
-1.91 -1.75 0.12
Similarity Score:
18.47%
Best Match:
CHEMBL3560393
Prediction Result:
Inactive99.99%

GRM8_HUMAN

Docking Scores:
0.42 -1.58 1.93
Similarity Score:
18.47%
Best Match:
CHEMBL3560393
Prediction Result:
Inactive99.99%

HRH1_HUMAN

Docking Scores:
-8.12
Similarity Score:
25.50%
Best Match:
CHEMBL62312
Prediction Result:
N/A

HRH2_HUMAN

Docking Scores:
-8.85 -8.56 -8.42
Similarity Score:
21.23%
Best Match:
CHEMBL107293
Prediction Result:
Active77.94%

HRH3_HUMAN

Docking Scores:
-7.50 -8.31 -8.49
Similarity Score:
30.30%
Best Match:
CHEMBL207231
Prediction Result:
Inactive69.07%

HRH4_HUMAN

Docking Scores:
-8.74 -8.45 -9.06
Similarity Score:
20.44%
Best Match:
CHEMBL1934062
Prediction Result:
Inactive75.82%

MC3R_HUMAN

Docking Scores:
-8.06 -7.40 -7.42
Similarity Score:
18.06%
Best Match:
CHEMBL377620
Prediction Result:
Inactive83.61%

MC4R_HUMAN

Docking Scores:
-7.64 -6.33 -7.22
Similarity Score:
22.04%
Best Match:
CHEMBL578944
Prediction Result:
Inactive91.67%

MC5R_HUMAN

Docking Scores:
-6.19 -7.63 -6.00
Similarity Score:
18.06%
Best Match:
CHEMBL3935253
Prediction Result:
Inactive77.54%

MSHR_HUMAN

Docking Scores:
-7.49 -6.98 -7.30
Similarity Score:
20.00%
Best Match:
CHEMBL1682208
Prediction Result:
Inactive80.28%

NK1R_HUMAN

Docking Scores:
-8.98 -8.85 -7.64
Similarity Score:
28.43%
Best Match:
CHEMBL420221
Prediction Result:
N/A

NK2R_HUMAN

Docking Scores:
-7.81 -7.91 -7.66
Similarity Score:
28.05%
Best Match:
CHEMBL1083847
Prediction Result:
Inactive99.20%

NPBW1_HUMAN

Docking Scores:
-8.11 -8.36 -8.67
Similarity Score:
21.30%
Best Match:
CHEMBL2314298
Prediction Result:
Inactive91.29%

NPFF1_HUMAN

Docking Scores:
-7.73 -7.87 -8.03
Similarity Score:
15.17%
Best Match:
CHEMBL3361420
Prediction Result:
Inactive85.96%

NPSR1_HUMAN

Docking Scores:
-9.12 -9.93 -9.87
Similarity Score:
20.90%
Best Match:
CHEMBL3085788
Prediction Result:
Inactive64.80%

NPY1R_HUMAN

Docking Scores:
-9.27 -8.81 -8.71
Similarity Score:
29.37%
Best Match:
CHEMBL3559801
Prediction Result:
N/A

NPY2R_HUMAN

Docking Scores:
-7.84 -7.75 -7.22
Similarity Score:
29.37%
Best Match:
CHEMBL3559801
Prediction Result:
Inactive97.35%

NPY4R_HUMAN

Docking Scores:
-9.35 -9.12 -8.19
Similarity Score:
29.37%
Best Match:
CHEMBL3559801
Prediction Result:
Inactive92.45%

NPY5R_HUMAN

Docking Scores:
-8.06 -7.81 -7.57
Similarity Score:
29.37%
Best Match:
CHEMBL3559801
Prediction Result:
Inactive90.93%

OPRD_HUMAN

Docking Scores:
-7.52 -7.16 -7.12
Similarity Score:
30.57%
Best Match:
CHEMBL3678971
Prediction Result:
N/A

OPRK_HUMAN

Docking Scores:
-8.98 -8.21 -8.45
Similarity Score:
32.87%
Best Match:
CHEMBL4111049
Prediction Result:
N/A

OPRM_HUMAN

Docking Scores:
-8.04 -7.43 -8.14
Similarity Score:
32.87%
Best Match:
CHEMBL4113162
Prediction Result:
Inactive87.32%

OPRX_HUMAN

Docking Scores:
-7.41 -7.16 -7.91
Similarity Score:
29.00%
Best Match:
CHEMBL3581762
Prediction Result:
N/A

PTAFR_HUMAN

Docking Scores:
-7.13 -6.88 -7.24
Similarity Score:
29.89%
Best Match:
CHEMBL2304166
Prediction Result:
Inactive69.16%

TAAR1_HUMAN

Docking Scores:
-8.51 -9.42 -8.78
Similarity Score:
25.49%
Best Match:
CHEMBL1732597
Prediction Result:
Inactive77.04%

TSHR_HUMAN

Docking Scores:
-8.33 -8.57 -7.43
Similarity Score:
21.65%
Best Match:
CHEMBL1370580
Prediction Result:
Inactive96.04%

V1AR_HUMAN

Docking Scores:
-8.05 -8.60 -8.30
Similarity Score:
22.38%
Best Match:
CHEMBL1085301
Prediction Result:
Inactive91.61%

VIPR1_HUMAN

Docking Scores:
-8.30 -7.84 -8.14
Similarity Score:
15.08%
Best Match:
CHEMBL483749
Prediction Result:
N/A