Captagon #30 Output Download CSV

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

Docking Scores:
-8.34 -8.78 -7.20
Similarity Score:
68.61%
Best Match:
CHEMBL338611
Prediction Result:
Active97.13%

5HT1B_HUMAN

Docking Scores:
-8.68 -8.69 -8.93
Similarity Score:
46.15%
Best Match:
CHEMBL318901
Prediction Result:
N/A

5HT1D_HUMAN

Docking Scores:
-8.55 -8.40 -8.55
Similarity Score:
57.34%
Best Match:
CHEMBL51
Prediction Result:
N/A

5HT1E_HUMAN

Docking Scores:
-8.27 -9.00 -8.53
Similarity Score:
32.79%
Best Match:
CHEMBL103479
Prediction Result:
Inactive64.99%

5HT1F_HUMAN

Docking Scores:
-8.76 -9.03 -9.34
Similarity Score:
36.21%
Best Match:
CHEMBL320198
Prediction Result:
Active51.48%

5HT2A_HUMAN

Docking Scores:
-9.05 -9.21
Similarity Score:
73.08%
Best Match:
CHEMBL2237153
Prediction Result:
N/A

5HT2B_HUMAN

Docking Scores:
-8.91 -9.07 -9.05
Similarity Score:
57.34%
Best Match:
CHEMBL51
Prediction Result:
N/A

5HT2C_HUMAN

Docking Scores:
-8.76 -8.88
Similarity Score:
58.57%
Best Match:
CHEMBL1200406
Prediction Result:
N/A

5HT4R_HUMAN

Docking Scores:
-9.00 -9.29 -8.30
Similarity Score:
43.54%
Best Match:
CHEMBL553658
Prediction Result:
Active52.61%

5HT5A_HUMAN

Docking Scores:
-8.84 -8.20 -8.26
Similarity Score:
37.72%
Best Match:
CHEMBL199824
Prediction Result:
Inactive73.17%

5HT6R_HUMAN

Docking Scores:
-8.61 -8.20 -8.92
Similarity Score:
58.90%
Best Match:
CHEMBL3360997
Prediction Result:
Active91.46%

5HT7R_HUMAN

Docking Scores:
-8.30 -8.57 -8.82
Similarity Score:
69.12%
Best Match:
CHEMBL3361003
Prediction Result:
Active95.77%

AA1R_HUMAN

Docking Scores:
-7.65 -8.57 -7.38
Similarity Score:
82.11%
Best Match:
CHEMBL591235
Prediction Result:
N/A

AA2AR_HUMAN

Docking Scores:
-8.28 -8.00 -8.55
Similarity Score:
64.60%
Best Match:
CHEMBL446679
Prediction Result:
N/A

AA2BR_HUMAN

Docking Scores:
-8.00 -8.88 -7.80
Similarity Score:
73.91%
Best Match:
CHEMBL67228
Prediction Result:
Active93.67%

AA3R_HUMAN

Docking Scores:
-8.38 -6.32 -7.89
Similarity Score:
65.96%
Best Match:
CHEMBL464437
Prediction Result:
Active79.92%

ACM1_HUMAN

Docking Scores:
-8.49 -3.82
Similarity Score:
68.61%
Best Match:
CHEMBL338611
Prediction Result:
N/A

ACM2_HUMAN

Docking Scores:
-8.71 -8.14 -8.47
Similarity Score:
58.57%
Best Match:
CHEMBL1200406
Prediction Result:
Active77.29%

ACM3_HUMAN

Docking Scores:
-8.30 -9.32 -9.34
Similarity Score:
58.57%
Best Match:
CHEMBL1200406
Prediction Result:
Active77.77%

ACM4_HUMAN

Docking Scores:
-7.74 -7.57
Similarity Score:
58.57%
Best Match:
CHEMBL1200406
Prediction Result:
N/A

ACM5_HUMAN

Docking Scores:
-9.18 -8.73 -9.30
Similarity Score:
58.57%
Best Match:
CHEMBL1200406
Prediction Result:
Active67.33%

ACTHR_HUMAN

Docking Scores:
-9.88 -9.37 -8.33
Similarity Score:
N/A
Best Match:
N/A
Prediction Result:
N/A

ADA1D_HUMAN

Docking Scores:
-7.98 -8.52 -7.98
Similarity Score:
49.08%
Best Match:
CHEMBL219719
Prediction Result:
Inactive54.75%

ADA2A_HUMAN

Docking Scores:
-7.79 -8.61 -2.85
Similarity Score:
43.26%
Best Match:
CHEMBL40650
Prediction Result:
Inactive99.99%

ADA2B_HUMAN

Docking Scores:
-9.56 -9.02 -9.43
Similarity Score:
43.71%
Best Match:
CHEMBL51433
Prediction Result:
Active75.08%

ADA2C_HUMAN

Docking Scores:
-4.49 -2.75 -2.53
Similarity Score:
43.26%
Best Match:
CHEMBL40650
Prediction Result:
Inactive99.99%

ADRB1_HUMAN

Docking Scores:
-9.20 -8.39 -8.65
Similarity Score:
48.78%
Best Match:
CHEMBL1814267
Prediction Result:
Active52.89%

ADRB2_HUMAN

Docking Scores:
-9.07 -9.73 -9.31
Similarity Score:
55.19%
Best Match:
CHEMBL462313
Prediction Result:
N/A

ADRB3_HUMAN

Docking Scores:
-9.24 -10.15 -9.02
Similarity Score:
55.03%
Best Match:
CHEMBL3764950
Prediction Result:
N/A

AGTR2_HUMAN

Docking Scores:
-8.83 -8.81 -8.36
Similarity Score:
43.45%
Best Match:
CHEMBL219840
Prediction Result:
N/A

BKRB2_HUMAN

Docking Scores:
-7.95 -8.72 -8.72
Similarity Score:
35.40%
Best Match:
CHEMBL2392354
Prediction Result:
Inactive72.12%

CALCR_HUMAN

Docking Scores:
-7.52 -7.72 -7.94
Similarity Score:
30.00%
Best Match:
CHEMBL2369907
Prediction Result:
Inactive98.24%

CCKAR_HUMAN

Docking Scores:
-8.01 -8.76 -9.07
Similarity Score:
32.55%
Best Match:
CHEMBL1172252
Prediction Result:
Inactive83.94%

CCR1_HUMAN

Docking Scores:
-7.81 -9.36 -7.61
Similarity Score:
37.20%
Best Match:
CHEMBL69411
Prediction Result:
Inactive91.52%

CCR2_HUMAN

Docking Scores:
-8.19 -7.82 -7.38
Similarity Score:
37.80%
Best Match:
CHEMBL1951773
Prediction Result:
Inactive78.92%

CCR4_HUMAN

Docking Scores:
-7.60 -8.01 -8.71
Similarity Score:
42.21%
Best Match:
CHEMBL232840
Prediction Result:
Inactive64.33%

CCR5_HUMAN

Docking Scores:
-8.13 -8.17 -8.23
Similarity Score:
51.37%
Best Match:
CHEMBL195199
Prediction Result:
Inactive85.40%

CLTR1_HUMAN

Docking Scores:
-8.44 -10.03 -9.08
Similarity Score:
28.98%
Best Match:
CHEMBL423333
Prediction Result:
Inactive84.96%

CNR1_HUMAN

Docking Scores:
-7.62 -9.18 -10.14
Similarity Score:
41.83%
Best Match:
CHEMBL527071
Prediction Result:
N/A

CNR2_HUMAN

Docking Scores:
-9.35 -9.55
Similarity Score:
55.40%
Best Match:
CHEMBL4096536
Prediction Result:
N/A

CXCR1_HUMAN

Docking Scores:
-6.22
Similarity Score:
24.70%
Best Match:
CHEMBL3609011
Prediction Result:
N/A

CXCR2_HUMAN

Docking Scores:
-8.46 -7.94 -7.28
Similarity Score:
33.51%
Best Match:
CHEMBL403877
Prediction Result:
Inactive68.35%

CXCR3_HUMAN

Docking Scores:
-8.80 -8.30 -9.65
Similarity Score:
46.58%
Best Match:
CHEMBL402855
Prediction Result:
Inactive68.87%

CXCR4_HUMAN

Docking Scores:
-8.47 -7.00 -7.18
Similarity Score:
35.22%
Best Match:
CHEMBL366033
Prediction Result:
N/A

DRD1_HUMAN

Docking Scores:
-9.04 -7.99 -9.13
Similarity Score:
45.20%
Best Match:
CHEMBL370364
Prediction Result:
Active61.80%

DRD2_HUMAN

Docking Scores:
-7.24
Similarity Score:
68.61%
Best Match:
CHEMBL338611
Prediction Result:
N/A

DRD3_HUMAN

Docking Scores:
-8.36
Similarity Score:
56.21%
Best Match:
CHEMBL3797209
Prediction Result:
N/A

DRD4_HUMAN

Docking Scores:
-9.25 -9.15
Similarity Score:
57.34%
Best Match:
CHEMBL51
Prediction Result:
N/A

DRD5_HUMAN

Docking Scores:
-9.29 -9.71 -9.55
Similarity Score:
38.78%
Best Match:
CHEMBL238718
Prediction Result:
Active61.30%

EDNRA_HUMAN

Docking Scores:
-7.57 -7.66 -7.63
Similarity Score:
36.31%
Best Match:
CHEMBL343379
Prediction Result:
Inactive57.33%

GABR1_HUMAN

Docking Scores:
-3.75 -6.84 -2.12
Similarity Score:
20.71%
Best Match:
CHEMBL392394
Prediction Result:
Inactive99.99%

GASR_HUMAN

Docking Scores:
-8.06 -7.98 -6.90
Similarity Score:
38.80%
Best Match:
CHEMBL36436
Prediction Result:
Inactive73.20%

GRM1_HUMAN

Docking Scores:
-8.41 -9.91 -8.28
Similarity Score:
40.11%
Best Match:
CHEMBL248052
Prediction Result:
Inactive56.88%

GRM2_HUMAN

Docking Scores:
-5.90 -6.65 -5.78
Similarity Score:
44.59%
Best Match:
CHEMBL3804903
Prediction Result:
Active63.41%

GRM3_HUMAN

Docking Scores:
-6.79 -8.01 -8.19
Similarity Score:
39.31%
Best Match:
CHEMBL3401177
Prediction Result:
Inactive84.65%

GRM4_HUMAN

Docking Scores:
-3.21 -0.86 -1.60
Similarity Score:
28.57%
Best Match:
CHEMBL2023624
Prediction Result:
Inactive99.99%

GRM5_HUMAN

Docking Scores:
-8.53 -7.93 -7.27
Similarity Score:
36.18%
Best Match:
CHEMBL4072424
Prediction Result:
N/A

GRM6_HUMAN

Docking Scores:
-6.40 -7.86 -6.20
Similarity Score:
25.74%
Best Match:
CHEMBL1585091
Prediction Result:
Inactive92.97%

GRM7_HUMAN

Docking Scores:
-4.30 -4.09 -4.49
Similarity Score:
27.41%
Best Match:
CHEMBL3561038
Prediction Result:
Inactive99.99%

GRM8_HUMAN

Docking Scores:
-1.40 -2.73 -2.55
Similarity Score:
27.41%
Best Match:
CHEMBL3561038
Prediction Result:
Inactive99.99%

HRH1_HUMAN

Docking Scores:
-9.52
Similarity Score:
58.57%
Best Match:
CHEMBL1200406
Prediction Result:
N/A

HRH2_HUMAN

Docking Scores:
-8.92 -8.38 -9.09
Similarity Score:
37.72%
Best Match:
CHEMBL199824
Prediction Result:
Active98.27%

HRH3_HUMAN

Docking Scores:
-8.97 -8.18 -7.86
Similarity Score:
48.37%
Best Match:
CHEMBL3331144
Prediction Result:
Active79.26%

HRH4_HUMAN

Docking Scores:
-8.81 -8.26 -8.34
Similarity Score:
36.60%
Best Match:
CHEMBL4083336
Prediction Result:
Inactive67.48%

MC3R_HUMAN

Docking Scores:
-8.66 -8.47 -8.18
Similarity Score:
38.26%
Best Match:
CHEMBL272099
Prediction Result:
Inactive62.48%

MC4R_HUMAN

Docking Scores:
-7.16 -5.91 -7.26
Similarity Score:
41.62%
Best Match:
CHEMBL4108637
Prediction Result:
Inactive78.43%

MC5R_HUMAN

Docking Scores:
-6.73 -8.89 -6.98
Similarity Score:
36.32%
Best Match:
CHEMBL1161313
Prediction Result:
Inactive64.99%

MSHR_HUMAN

Docking Scores:
-8.62 -7.77 -8.81
Similarity Score:
36.11%
Best Match:
CHEMBL180937
Prediction Result:
Inactive70.38%

NK1R_HUMAN

Docking Scores:
-8.21 -8.28 -7.63
Similarity Score:
47.53%
Best Match:
CHEMBL440465
Prediction Result:
N/A

NK2R_HUMAN

Docking Scores:
-7.60 -8.30 -7.86
Similarity Score:
49.32%
Best Match:
CHEMBL71704
Prediction Result:
Inactive97.61%

NPBW1_HUMAN

Docking Scores:
-7.35 -8.01 -8.34
Similarity Score:
29.33%
Best Match:
CHEMBL1968640
Prediction Result:
Inactive91.46%

NPFF1_HUMAN

Docking Scores:
-7.63 -7.52 -7.45
Similarity Score:
33.53%
Best Match:
CHEMBL2208296
Prediction Result:
Inactive87.81%

NPSR1_HUMAN

Docking Scores:
-8.14 -9.30 -8.76
Similarity Score:
33.53%
Best Match:
CHEMBL1800088
Prediction Result:
Inactive67.01%

NPY1R_HUMAN

Docking Scores:
-9.65 -8.72 -8.04
Similarity Score:
37.79%
Best Match:
CHEMBL421770
Prediction Result:
N/A

NPY2R_HUMAN

Docking Scores:
-7.73 -7.99 -7.30
Similarity Score:
33.99%
Best Match:
CHEMBL3578010
Prediction Result:
Inactive96.58%

NPY4R_HUMAN

Docking Scores:
-8.15 -7.84 -8.03
Similarity Score:
33.51%
Best Match:
CHEMBL2440191
Prediction Result:
Inactive50.85%

NPY5R_HUMAN

Docking Scores:
-8.22 -7.72 -7.87
Similarity Score:
39.78%
Best Match:
CHEMBL298037
Prediction Result:
Inactive69.09%

OPRD_HUMAN

Docking Scores:
-7.16 -6.47 -6.57
Similarity Score:
51.53%
Best Match:
CHEMBL493973
Prediction Result:
N/A

OPRK_HUMAN

Docking Scores:
-8.86 -8.67 -8.81
Similarity Score:
50.33%
Best Match:
CHEMBL4112000
Prediction Result:
N/A

OPRM_HUMAN

Docking Scores:
-8.34 -7.53 -8.16
Similarity Score:
49.64%
Best Match:
CHEMBL1423
Prediction Result:
Inactive71.31%

OPRX_HUMAN

Docking Scores:
-7.72 -7.47 -7.68
Similarity Score:
54.84%
Best Match:
CHEMBL2088035
Prediction Result:
N/A

PTAFR_HUMAN

Docking Scores:
-8.58 -7.83 -8.33
Similarity Score:
40.94%
Best Match:
CHEMBL345902
Prediction Result:
Active61.30%

TAAR1_HUMAN

Docking Scores:
-9.00 -9.20 -9.23
Similarity Score:
54.01%
Best Match:
CHEMBL1449587
Prediction Result:
Inactive52.31%

TSHR_HUMAN

Docking Scores:
-8.66 -9.75 -8.90
Similarity Score:
31.09%
Best Match:
CHEMBL1357440
Prediction Result:
Inactive97.54%

V1AR_HUMAN

Docking Scores:
-8.27 -7.73 -8.94
Similarity Score:
41.57%
Best Match:
CHEMBL3416878
Prediction Result:
Inactive81.70%

VIPR1_HUMAN

Docking Scores:
-8.62 -8.13 -8.46
Similarity Score:
33.00%
Best Match:
CHEMBL3884667
Prediction Result:
N/A