CHEMBL1779871 #22 Output Download CSV

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

Docking Scores:
-9.07 -8.36 -9.49
Similarity Score:
51.06%
Best Match:
CHEMBL3104092
Prediction Result:
Active70.19%

5HT1B_HUMAN

Docking Scores:
-10.02 -10.28 -10.02
Similarity Score:
51.06%
Best Match:
CHEMBL3104092
Prediction Result:
N/A

5HT1D_HUMAN

Docking Scores:
-9.86 -9.98 -10.05
Similarity Score:
51.06%
Best Match:
CHEMBL3104092
Prediction Result:
N/A

5HT1E_HUMAN

Docking Scores:
-9.44 -8.16 -9.44
Similarity Score:
35.50%
Best Match:
CHEMBL4092027
Prediction Result:
Inactive64.80%

5HT1F_HUMAN

Docking Scores:
-9.31 -10.13 -9.68
Similarity Score:
41.57%
Best Match:
CHEMBL187928
Prediction Result:
Inactive50.58%

5HT2A_HUMAN

Docking Scores:
-10.25 -10.32
Similarity Score:
55.62%
Best Match:
CHEMBL592752
Prediction Result:
N/A

5HT2B_HUMAN

Docking Scores:
-10.57 -10.71 -10.96
Similarity Score:
57.53%
Best Match:
CHEMBL1110
Prediction Result:
N/A

5HT2C_HUMAN

Docking Scores:
-10.19 -10.41
Similarity Score:
55.62%
Best Match:
CHEMBL592752
Prediction Result:
N/A

5HT4R_HUMAN

Docking Scores:
-10.81 -10.98 -10.00
Similarity Score:
47.95%
Best Match:
CHEMBL2401750
Prediction Result:
Inactive65.02%

5HT5A_HUMAN

Docking Scores:
-10.07 -8.39 -8.78
Similarity Score:
56.65%
Best Match:
CHEMBL129476
Prediction Result:
Active52.07%

5HT6R_HUMAN

Docking Scores:
-9.99 -9.98 -10.16
Similarity Score:
56.14%
Best Match:
CHEMBL1783965
Prediction Result:
Active91.85%

5HT7R_HUMAN

Docking Scores:
-9.57 -9.51 -9.54
Similarity Score:
55.62%
Best Match:
CHEMBL592752
Prediction Result:
Active89.65%

AA1R_HUMAN

Docking Scores:
-9.97 -9.70 -8.43
Similarity Score:
48.57%
Best Match:
CHEMBL371131
Prediction Result:
N/A

AA2AR_HUMAN

Docking Scores:
-9.82 -9.55 -9.38
Similarity Score:
48.57%
Best Match:
CHEMBL371131
Prediction Result:
N/A

AA2BR_HUMAN

Docking Scores:
-9.03 -10.64 -9.80
Similarity Score:
37.50%
Best Match:
CHEMBL469136
Prediction Result:
Inactive58.95%

AA3R_HUMAN

Docking Scores:
-3.73 -5.99 -7.59
Similarity Score:
42.44%
Best Match:
CHEMBL15245
Prediction Result:
Inactive99.99%

ACM1_HUMAN

Docking Scores:
-7.64 11.36
Similarity Score:
54.86%
Best Match:
CHEMBL322251
Prediction Result:
N/A

ACM2_HUMAN

Docking Scores:
-10.98 -9.86 -8.82
Similarity Score:
54.86%
Best Match:
CHEMBL322251
Prediction Result:
Active64.62%

ACM3_HUMAN

Docking Scores:
-9.43 -10.81 -10.56
Similarity Score:
45.25%
Best Match:
CHEMBL148328
Prediction Result:
Active61.44%

ACM4_HUMAN

Docking Scores:
-9.63 -8.34
Similarity Score:
46.52%
Best Match:
CHEMBL4062718
Prediction Result:
N/A

ACM5_HUMAN

Docking Scores:
-11.09 -10.75 -9.29
Similarity Score:
45.95%
Best Match:
CHEMBL3334991
Prediction Result:
Active91.23%

ACTHR_HUMAN

Docking Scores:
-11.79 -11.93 -9.38
Similarity Score:
N/A
Best Match:
N/A
Prediction Result:
N/A

ADA1D_HUMAN

Docking Scores:
-9.88 -8.74 -9.83
Similarity Score:
49.22%
Best Match:
CHEMBL3104093
Prediction Result:
Active78.00%

ADA2A_HUMAN

Docking Scores:
-3.24 -2.29 0.71
Similarity Score:
55.62%
Best Match:
CHEMBL592752
Prediction Result:
Inactive99.99%

ADA2B_HUMAN

Docking Scores:
-11.26 -9.80 -9.56
Similarity Score:
47.94%
Best Match:
CHEMBL3104091
Prediction Result:
Active72.65%

ADA2C_HUMAN

Docking Scores:
-0.09 3.57 3.94
Similarity Score:
51.06%
Best Match:
CHEMBL3104092
Prediction Result:
Inactive99.99%

ADRB1_HUMAN

Docking Scores:
-9.98 -10.25 -10.40
Similarity Score:
42.86%
Best Match:
CHEMBL498304
Prediction Result:
Inactive50.95%

ADRB2_HUMAN

Docking Scores:
-10.73 -10.70 -11.33
Similarity Score:
42.33%
Best Match:
CHEMBL236251
Prediction Result:
N/A

ADRB3_HUMAN

Docking Scores:
-10.82 -10.64 -10.02
Similarity Score:
42.86%
Best Match:
CHEMBL498304
Prediction Result:
N/A

AGTR2_HUMAN

Docking Scores:
-10.05 -9.89 -9.82
Similarity Score:
44.66%
Best Match:
CHEMBL2435833
Prediction Result:
N/A

BKRB2_HUMAN

Docking Scores:
-10.51 -10.69 -10.47
Similarity Score:
38.91%
Best Match:
CHEMBL25751
Prediction Result:
Inactive53.99%

CALCR_HUMAN

Docking Scores:
-9.01 -8.93 -9.08
Similarity Score:
28.51%
Best Match:
CHEMBL2369897
Prediction Result:
Inactive98.20%

CCKAR_HUMAN

Docking Scores:
-8.89 -8.35 -8.70
Similarity Score:
41.98%
Best Match:
CHEMBL2372623
Prediction Result:
Inactive79.89%

CCR1_HUMAN

Docking Scores:
-8.97 -8.76 -8.39
Similarity Score:
55.33%
Best Match:
CHEMBL2178572
Prediction Result:
Active57.24%

CCR2_HUMAN

Docking Scores:
-8.24 -9.50 -8.78
Similarity Score:
63.31%
Best Match:
CHEMBL2314058
Prediction Result:
Active93.07%

CCR4_HUMAN

Docking Scores:
-8.31 -9.39 -9.91
Similarity Score:
45.91%
Best Match:
CHEMBL2435852
Prediction Result:
Active60.81%

CCR5_HUMAN

Docking Scores:
-9.31 -9.13 -9.16
Similarity Score:
60.12%
Best Match:
CHEMBL595902
Prediction Result:
Active80.24%

CLTR1_HUMAN

Docking Scores:
-9.77 -10.64 -10.34
Similarity Score:
39.47%
Best Match:
CHEMBL423333
Prediction Result:
Inactive69.89%

CNR1_HUMAN

Docking Scores:
-9.70 -9.28 -8.68
Similarity Score:
67.30%
Best Match:
CHEMBL1950342
Prediction Result:
N/A

CNR2_HUMAN

Docking Scores:
-10.67 -10.18
Similarity Score:
61.58%
Best Match:
CHEMBL1950330
Prediction Result:
N/A

CXCR1_HUMAN

Docking Scores:
-4.51
Similarity Score:
34.45%
Best Match:
CHEMBL3609013
Prediction Result:
N/A

CXCR2_HUMAN

Docking Scores:
-9.47 -8.30 -7.81
Similarity Score:
34.45%
Best Match:
CHEMBL3609013
Prediction Result:
Inactive71.27%

CXCR3_HUMAN

Docking Scores:
-9.90 -9.30 -9.79
Similarity Score:
47.91%
Best Match:
CHEMBL395745
Prediction Result:
Inactive56.16%

CXCR4_HUMAN

Docking Scores:
-9.21 -7.52 -8.42
Similarity Score:
51.21%
Best Match:
CHEMBL565749
Prediction Result:
N/A

DRD1_HUMAN

Docking Scores:
-9.91 -9.68 -9.87
Similarity Score:
49.71%
Best Match:
CHEMBL1086789
Prediction Result:
Active85.82%

DRD2_HUMAN

Docking Scores:
-10.64
Similarity Score:
55.62%
Best Match:
CHEMBL592752
Prediction Result:
N/A

DRD3_HUMAN

Docking Scores:
-10.91
Similarity Score:
51.52%
Best Match:
CHEMBL85606
Prediction Result:
N/A

DRD4_HUMAN

Docking Scores:
-10.07 -9.84
Similarity Score:
50.85%
Best Match:
CHEMBL1771114
Prediction Result:
N/A

DRD5_HUMAN

Docking Scores:
-8.94 -11.72 -9.68
Similarity Score:
47.94%
Best Match:
CHEMBL3104091
Prediction Result:
Inactive61.98%

EDNRA_HUMAN

Docking Scores:
-8.45 -7.63 -8.04
Similarity Score:
42.34%
Best Match:
CHEMBL3752680
Prediction Result:
Active52.79%

GABR1_HUMAN

Docking Scores:
8.13 -3.17 64.46
Similarity Score:
18.75%
Best Match:
CHEMBL2391908
Prediction Result:
Inactive99.99%

GASR_HUMAN

Docking Scores:
-9.58 -9.41 -8.02
Similarity Score:
44.55%
Best Match:
CHEMBL282732
Prediction Result:
Active59.19%

GRM1_HUMAN

Docking Scores:
-9.81 -10.14 -8.80
Similarity Score:
38.89%
Best Match:
CHEMBL233709
Prediction Result:
Inactive51.40%

GRM2_HUMAN

Docking Scores:
-3.00 -4.29 0.41
Similarity Score:
42.78%
Best Match:
CHEMBL3909273
Prediction Result:
Inactive99.99%

GRM3_HUMAN

Docking Scores:
-6.24 -7.13 -8.86
Similarity Score:
29.31%
Best Match:
CHEMBL1629855
Prediction Result:
Inactive92.41%

GRM4_HUMAN

Docking Scores:
0.94 4.79 3.01
Similarity Score:
41.15%
Best Match:
CHEMBL3797463
Prediction Result:
Inactive99.99%

GRM5_HUMAN

Docking Scores:
-8.69 -6.78 -8.48
Similarity Score:
100.00%
Best Match:
CHEMBL1779871
Prediction Result:
N/A

GRM6_HUMAN

Docking Scores:
-6.11 -8.79 -3.10
Similarity Score:
35.81%
Best Match:
CHEMBL1585091
Prediction Result:
Inactive99.99%

GRM7_HUMAN

Docking Scores:
-2.71 -3.48 -5.73
Similarity Score:
37.74%
Best Match:
CHEMBL3560146
Prediction Result:
Inactive99.99%

GRM8_HUMAN

Docking Scores:
2.01 2.16 8.74
Similarity Score:
37.74%
Best Match:
CHEMBL3560146
Prediction Result:
Inactive99.99%

HRH1_HUMAN

Docking Scores:
-9.94
Similarity Score:
56.14%
Best Match:
CHEMBL1783965
Prediction Result:
N/A

HRH2_HUMAN

Docking Scores:
-10.50 -9.14 -10.23
Similarity Score:
49.22%
Best Match:
CHEMBL3104093
Prediction Result:
Active98.21%

HRH3_HUMAN

Docking Scores:
-9.26 -9.30 -9.05
Similarity Score:
51.50%
Best Match:
CHEMBL2031865
Prediction Result:
Active73.11%

HRH4_HUMAN

Docking Scores:
-9.94 -9.18 -9.98
Similarity Score:
41.38%
Best Match:
CHEMBL2047446
Prediction Result:
Inactive54.82%

MC3R_HUMAN

Docking Scores:
-10.17 -9.41 -8.70
Similarity Score:
48.31%
Best Match:
CHEMBL463047
Prediction Result:
Active63.00%

MC4R_HUMAN

Docking Scores:
-7.94 -7.68 -9.27
Similarity Score:
48.31%
Best Match:
CHEMBL463047
Prediction Result:
Active71.51%

MC5R_HUMAN

Docking Scores:
-6.73 -9.23 -6.44
Similarity Score:
46.19%
Best Match:
CHEMBL183799
Prediction Result:
Inactive69.28%

MSHR_HUMAN

Docking Scores:
-9.25 -7.96 -9.85
Similarity Score:
48.31%
Best Match:
CHEMBL463047
Prediction Result:
Active50.61%

NK1R_HUMAN

Docking Scores:
-8.74 -9.52 -9.13
Similarity Score:
50.90%
Best Match:
CHEMBL295122
Prediction Result:
N/A

NK2R_HUMAN

Docking Scores:
-9.86 -9.99 -10.45
Similarity Score:
49.72%
Best Match:
CHEMBL379097
Prediction Result:
Active82.78%

NPBW1_HUMAN

Docking Scores:
-8.50 -8.13 -8.05
Similarity Score:
30.29%
Best Match:
CHEMBL1705499
Prediction Result:
Inactive89.18%

NPFF1_HUMAN

Docking Scores:
-9.32 -9.33 -8.52
Similarity Score:
40.31%
Best Match:
CHEMBL2208312
Prediction Result:
Inactive61.31%

NPSR1_HUMAN

Docking Scores:
-9.59 -10.64 -9.74
Similarity Score:
41.76%
Best Match:
CHEMBL1210177
Prediction Result:
Active74.50%

NPY1R_HUMAN

Docking Scores:
-10.88 -10.81 -10.11
Similarity Score:
39.91%
Best Match:
CHEMBL124343
Prediction Result:
N/A

NPY2R_HUMAN

Docking Scores:
-9.46 -9.37 -9.10
Similarity Score:
39.76%
Best Match:
CHEMBL437487
Prediction Result:
Inactive55.60%

NPY4R_HUMAN

Docking Scores:
-9.07 -9.65 -9.32
Similarity Score:
34.48%
Best Match:
CHEMBL413871
Prediction Result:
Inactive99.28%

NPY5R_HUMAN

Docking Scores:
-8.46 -9.18 -8.75
Similarity Score:
43.09%
Best Match:
CHEMBL42437
Prediction Result:
Inactive53.39%

OPRD_HUMAN

Docking Scores:
-9.02 -6.49 -8.25
Similarity Score:
55.74%
Best Match:
CHEMBL2347239
Prediction Result:
N/A

OPRK_HUMAN

Docking Scores:
-10.07 -9.64 -10.32
Similarity Score:
55.74%
Best Match:
CHEMBL2347239
Prediction Result:
N/A

OPRM_HUMAN

Docking Scores:
-9.34 -8.02 -8.63
Similarity Score:
55.74%
Best Match:
CHEMBL2347239
Prediction Result:
Active55.59%

OPRX_HUMAN

Docking Scores:
-8.79 -8.74 -8.81
Similarity Score:
55.32%
Best Match:
CHEMBL3349268
Prediction Result:
N/A

PTAFR_HUMAN

Docking Scores:
-10.02 -9.75 -10.07
Similarity Score:
44.32%
Best Match:
CHEMBL294706
Prediction Result:
Active63.91%

TAAR1_HUMAN

Docking Scores:
-9.69 -10.15 -9.99
Similarity Score:
59.28%
Best Match:
CHEMBL1872433
Prediction Result:
Active68.48%

TSHR_HUMAN

Docking Scores:
-10.64 -10.74 -10.28
Similarity Score:
36.22%
Best Match:
CHEMBL3983689
Prediction Result:
Active54.26%

V1AR_HUMAN

Docking Scores:
-9.30 -9.73 -9.68
Similarity Score:
49.17%
Best Match:
CHEMBL3416864
Prediction Result:
Active57.90%

VIPR1_HUMAN

Docking Scores:
-10.13 -8.76 -10.22
Similarity Score:
31.50%
Best Match:
CHEMBL3736230
Prediction Result:
N/A