CN(C)C(=N)/N=C(N)/N #580 Output Download CSV

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

Docking Scores:
-4.85 -4.76 -4.57
Similarity Score:
17.24%
Best Match:
CHEMBL582877
Prediction Result:
Inactive94.01%

5HT1B_HUMAN

Docking Scores:
-5.30 -5.46 -5.08
Similarity Score:
10.98%
Best Match:
CHEMBL366322
Prediction Result:
N/A

5HT1D_HUMAN

Docking Scores:
-5.30 -5.20 -5.19
Similarity Score:
13.04%
Best Match:
CHEMBL182837
Prediction Result:
N/A

5HT1E_HUMAN

Docking Scores:
-5.17 -5.12 -4.64
Similarity Score:
2.83%
Best Match:
CHEMBL4163428
Prediction Result:
Active53.04%

5HT1F_HUMAN

Docking Scores:
-5.36 -4.93 -4.80
Similarity Score:
4.62%
Best Match:
CHEMBL323264
Prediction Result:
Inactive86.06%

5HT2A_HUMAN

Docking Scores:
-4.61 -4.87
Similarity Score:
17.24%
Best Match:
CHEMBL582877
Prediction Result:
N/A

5HT2B_HUMAN

Docking Scores:
-4.71 -4.83 -5.16
Similarity Score:
17.24%
Best Match:
CHEMBL582877
Prediction Result:
N/A

5HT2C_HUMAN

Docking Scores:
-4.63 -4.94
Similarity Score:
17.24%
Best Match:
CHEMBL582877
Prediction Result:
N/A

5HT4R_HUMAN

Docking Scores:
-5.50 -5.83 -6.10
Similarity Score:
6.92%
Best Match:
CHEMBL2058702
Prediction Result:
Inactive88.14%

5HT5A_HUMAN

Docking Scores:
-4.77 -4.58 -4.95
Similarity Score:
17.24%
Best Match:
CHEMBL582877
Prediction Result:
Inactive63.38%

5HT6R_HUMAN

Docking Scores:
-5.07 -4.88 -5.23
Similarity Score:
17.24%
Best Match:
CHEMBL582877
Prediction Result:
Inactive93.20%

5HT7R_HUMAN

Docking Scores:
-4.98 -4.96 -4.72
Similarity Score:
13.64%
Best Match:
CHEMBL3770342
Prediction Result:
Inactive73.71%

AA1R_HUMAN

Docking Scores:
-4.56 -4.75 -4.78
Similarity Score:
5.94%
Best Match:
CHEMBL1094353
Prediction Result:
N/A

AA2AR_HUMAN

Docking Scores:
-4.45 -5.05 -5.13
Similarity Score:
10.89%
Best Match:
CHEMBL1099100
Prediction Result:
N/A

AA2BR_HUMAN

Docking Scores:
-5.04 -5.53 -4.93
Similarity Score:
9.76%
Best Match:
CHEMBL1210817
Prediction Result:
Inactive84.29%

AA3R_HUMAN

Docking Scores:
-4.54 -4.67 -5.30
Similarity Score:
6.42%
Best Match:
CHEMBL70553
Prediction Result:
Inactive63.31%

ACM1_HUMAN

Docking Scores:
-5.05 -4.85
Similarity Score:
15.22%
Best Match:
CHEMBL477542
Prediction Result:
N/A

ACM2_HUMAN

Docking Scores:
-5.27 -4.80 -5.71
Similarity Score:
15.22%
Best Match:
CHEMBL477542
Prediction Result:
Active56.92%

ACM3_HUMAN

Docking Scores:
-5.00 -5.50 -5.06
Similarity Score:
11.76%
Best Match:
CHEMBL667
Prediction Result:
Inactive89.71%

ACM4_HUMAN

Docking Scores:
-4.86 -4.75
Similarity Score:
15.22%
Best Match:
CHEMBL477542
Prediction Result:
N/A

ACM5_HUMAN

Docking Scores:
-5.49 -4.72 -5.37
Similarity Score:
11.76%
Best Match:
CHEMBL667
Prediction Result:
Inactive88.76%

ACTHR_HUMAN

Docking Scores:
-4.48 -4.46 -5.36
Similarity Score:
N/A
Best Match:
N/A
Prediction Result:
N/A

ADA1D_HUMAN

Docking Scores:
-4.49 -4.72 -4.68
Similarity Score:
12.00%
Best Match:
CHEMBL134
Prediction Result:
Inactive73.94%

ADA2A_HUMAN

Docking Scores:
-5.06 -5.05 -5.02
Similarity Score:
16.28%
Best Match:
CHEMBL3289522
Prediction Result:
Inactive76.23%

ADA2B_HUMAN

Docking Scores:
-5.46 -5.12 -5.18
Similarity Score:
12.50%
Best Match:
CHEMBL289480
Prediction Result:
Active56.86%

ADA2C_HUMAN

Docking Scores:
-5.03 -5.05 -4.81
Similarity Score:
13.64%
Best Match:
CHEMBL647
Prediction Result:
Inactive58.66%

ADRB1_HUMAN

Docking Scores:
-4.91 -4.84 -4.63
Similarity Score:
8.57%
Best Match:
CHEMBL1204005
Prediction Result:
Inactive80.83%

ADRB2_HUMAN

Docking Scores:
-5.98 -4.99 -4.98
Similarity Score:
7.56%
Best Match:
CHEMBL439794
Prediction Result:
N/A

ADRB3_HUMAN

Docking Scores:
-4.83 -5.34 -4.97
Similarity Score:
7.56%
Best Match:
CHEMBL127422
Prediction Result:
N/A

AGTR2_HUMAN

Docking Scores:
-4.53 -4.54 -4.23
Similarity Score:
7.63%
Best Match:
CHEMBL3350599
Prediction Result:
N/A

BKRB2_HUMAN

Docking Scores:
-5.27 -5.44 -5.03
Similarity Score:
7.89%
Best Match:
CHEMBL1160968
Prediction Result:
Inactive95.93%

CALCR_HUMAN

Docking Scores:
-4.55 -4.70 -4.79
Similarity Score:
8.51%
Best Match:
CHEMBL4462020
Prediction Result:
Active89.56%

CCKAR_HUMAN

Docking Scores:
-4.28 -4.31 -4.73
Similarity Score:
7.30%
Best Match:
CHEMBL9387
Prediction Result:
Inactive91.49%

CCR1_HUMAN

Docking Scores:
-4.99 -5.16 -4.63
Similarity Score:
4.88%
Best Match:
CHEMBL357919
Prediction Result:
Inactive98.44%

CCR2_HUMAN

Docking Scores:
-4.50 -4.72 -4.22
Similarity Score:
5.85%
Best Match:
CHEMBL1210728
Prediction Result:
Inactive99.99%

CCR4_HUMAN

Docking Scores:
-5.16 -5.11 -4.91
Similarity Score:
3.85%
Best Match:
CHEMBL459465
Prediction Result:
Inactive85.77%

CCR5_HUMAN

Docking Scores:
-4.34 -4.32 -4.42
Similarity Score:
7.56%
Best Match:
CHEMBL492960
Prediction Result:
Inactive99.91%

CLTR1_HUMAN

Docking Scores:
-5.14 -4.77 -5.13
Similarity Score:
3.80%
Best Match:
CHEMBL3403185
Prediction Result:
Inactive98.27%

CNR1_HUMAN

Docking Scores:
-4.72 -5.64 -5.59
Similarity Score:
8.74%
Best Match:
CHEMBL515604
Prediction Result:
N/A

CNR2_HUMAN

Docking Scores:
-4.82 -5.48
Similarity Score:
8.74%
Best Match:
CHEMBL515604
Prediction Result:
N/A

CXCR1_HUMAN

Docking Scores:
-5.66
Similarity Score:
7.26%
Best Match:
CHEMBL376540
Prediction Result:
N/A

CXCR2_HUMAN

Docking Scores:
-5.16 -4.85 -4.75
Similarity Score:
7.26%
Best Match:
CHEMBL376540
Prediction Result:
Inactive81.19%

CXCR3_HUMAN

Docking Scores:
-5.37 -5.03 -4.89
Similarity Score:
5.52%
Best Match:
CHEMBL4114158
Prediction Result:
Inactive99.44%

CXCR4_HUMAN

Docking Scores:
-4.98 -5.16 -4.16
Similarity Score:
10.29%
Best Match:
CHEMBL2347631
Prediction Result:
N/A

DRD1_HUMAN

Docking Scores:
-5.06 -4.90 -5.31
Similarity Score:
6.62%
Best Match:
CHEMBL716
Prediction Result:
Inactive80.94%

DRD2_HUMAN

Docking Scores:
-4.65
Similarity Score:
9.72%
Best Match:
CHEMBL132575
Prediction Result:
N/A

DRD3_HUMAN

Docking Scores:
-4.61
Similarity Score:
8.43%
Best Match:
CHEMBL64894
Prediction Result:
N/A

DRD4_HUMAN

Docking Scores:
-4.96 -4.96
Similarity Score:
8.00%
Best Match:
CHEMBL4079495
Prediction Result:
N/A

DRD5_HUMAN

Docking Scores:
-5.40 -5.35 -5.05
Similarity Score:
5.34%
Best Match:
CHEMBL42
Prediction Result:
Inactive86.09%

EDNRA_HUMAN

Docking Scores:
-5.35 -5.06 -5.10
Similarity Score:
5.13%
Best Match:
CHEMBL405599
Prediction Result:
Inactive96.65%

GABR1_HUMAN

Docking Scores:
-5.49 -5.08 -4.99
Similarity Score:
2.78%
Best Match:
CHEMBL392394
Prediction Result:
Inactive85.79%

GASR_HUMAN

Docking Scores:
-4.90 -4.83 -4.94
Similarity Score:
8.12%
Best Match:
CHEMBL102537
Prediction Result:
Inactive96.92%

GRM1_HUMAN

Docking Scores:
-5.11 -5.29 -5.30
Similarity Score:
9.00%
Best Match:
CHEMBL239800
Prediction Result:
Inactive97.55%

GRM2_HUMAN

Docking Scores:
-5.01 -5.05 -5.07
Similarity Score:
5.56%
Best Match:
CHEMBL468800
Prediction Result:
Inactive86.83%

GRM3_HUMAN

Docking Scores:
-5.44 -5.47 -5.25
Similarity Score:
5.13%
Best Match:
CHEMBL575060
Prediction Result:
Active55.96%

GRM4_HUMAN

Docking Scores:
-4.39 -4.42 -4.20
Similarity Score:
4.14%
Best Match:
CHEMBL2023626
Prediction Result:
Inactive99.99%

GRM5_HUMAN

Docking Scores:
-5.61 -5.78 -5.69
Similarity Score:
14.13%
Best Match:
CHEMBL380626
Prediction Result:
N/A

GRM6_HUMAN

Docking Scores:
-4.66 -5.19 -4.96
Similarity Score:
5.26%
Best Match:
CHEMBL2418359
Prediction Result:
Inactive94.71%

GRM7_HUMAN

Docking Scores:
-5.09 -4.89 -4.91
Similarity Score:
3.70%
Best Match:
CHEMBL1387826
Prediction Result:
Inactive99.97%

GRM8_HUMAN

Docking Scores:
-4.95 -4.85 -4.70
Similarity Score:
5.33%
Best Match:
CHEMBL277475
Prediction Result:
Inactive96.44%

HRH1_HUMAN

Docking Scores:
-5.17
Similarity Score:
9.00%
Best Match:
CHEMBL273170
Prediction Result:
N/A

HRH2_HUMAN

Docking Scores:
-6.18 -4.86 -6.12
Similarity Score:
11.34%
Best Match:
CHEMBL1078359
Prediction Result:
Active84.00%

HRH3_HUMAN

Docking Scores:
-5.19 -4.60 -4.63
Similarity Score:
17.07%
Best Match:
CHEMBL1196470
Prediction Result:
Active69.53%

HRH4_HUMAN

Docking Scores:
-5.10 -5.18 -5.15
Similarity Score:
25.00%
Best Match:
CHEMBL539343
Prediction Result:
Inactive55.51%

MC3R_HUMAN

Docking Scores:
-4.81 -4.80 -4.26
Similarity Score:
7.37%
Best Match:
CHEMBL211975
Prediction Result:
Inactive71.20%

MC4R_HUMAN

Docking Scores:
-4.20 -3.98 -3.80
Similarity Score:
8.75%
Best Match:
CHEMBL1330113
Prediction Result:
Inactive99.99%

MC5R_HUMAN

Docking Scores:
-4.77 -4.53 -5.13
Similarity Score:
7.69%
Best Match:
CHEMBL184612
Prediction Result:
Inactive66.61%

MSHR_HUMAN

Docking Scores:
-4.98 -4.34 -5.21
Similarity Score:
9.21%
Best Match:
CHEMBL267020
Prediction Result:
Inactive82.94%

NK1R_HUMAN

Docking Scores:
-4.84 -4.78 -4.42
Similarity Score:
5.98%
Best Match:
CHEMBL303222
Prediction Result:
N/A

NK2R_HUMAN

Docking Scores:
-4.51 -4.25 -4.43
Similarity Score:
8.43%
Best Match:
CHEMBL64894
Prediction Result:
Inactive99.99%

NPBW1_HUMAN

Docking Scores:
-4.96 -4.72 -4.94
Similarity Score:
2.94%
Best Match:
CHEMBL1940542
Prediction Result:
Inactive88.26%

NPFF1_HUMAN

Docking Scores:
-4.27 -4.77 -4.28
Similarity Score:
8.59%
Best Match:
CHEMBL3746851
Prediction Result:
Inactive54.96%

NPSR1_HUMAN

Docking Scores:
-4.67 -5.49 -4.92
Similarity Score:
6.67%
Best Match:
CHEMBL3085788
Prediction Result:
Inactive87.28%

NPY1R_HUMAN

Docking Scores:
-5.63 -5.67 -5.01
Similarity Score:
11.29%
Best Match:
CHEMBL2440935
Prediction Result:
N/A

NPY2R_HUMAN

Docking Scores:
-4.87 -4.71 -4.92
Similarity Score:
10.92%
Best Match:
CHEMBL3787712
Prediction Result:
Inactive87.81%

NPY4R_HUMAN

Docking Scores:
-5.10 -4.85 -5.15
Similarity Score:
11.57%
Best Match:
CHEMBL3787528
Prediction Result:
Active90.34%

NPY5R_HUMAN

Docking Scores:
-4.91 -5.23 -4.71
Similarity Score:
10.92%
Best Match:
CHEMBL3787713
Prediction Result:
Inactive91.73%

OPRD_HUMAN

Docking Scores:
-4.22 -3.69 -4.03
Similarity Score:
11.11%
Best Match:
CHEMBL1587149
Prediction Result:
N/A

OPRK_HUMAN

Docking Scores:
-4.73 -4.98 -4.82
Similarity Score:
12.33%
Best Match:
CHEMBL435414
Prediction Result:
N/A

OPRM_HUMAN

Docking Scores:
-4.56 -4.48 -4.86
Similarity Score:
9.86%
Best Match:
CHEMBL147949
Prediction Result:
Inactive90.15%

OPRX_HUMAN

Docking Scores:
-4.37 -4.57 -4.66
Similarity Score:
7.34%
Best Match:
CHEMBL3144468
Prediction Result:
N/A

PTAFR_HUMAN

Docking Scores:
-4.54 -4.27 -4.82
Similarity Score:
5.68%
Best Match:
CHEMBL1235246
Prediction Result:
Inactive94.08%

TAAR1_HUMAN

Docking Scores:
-4.90 -5.01 -4.94
Similarity Score:
18.92%
Best Match:
CHEMBL1320254
Prediction Result:
Active88.28%

TSHR_HUMAN

Docking Scores:
-4.54 -5.04 -4.57
Similarity Score:
3.91%
Best Match:
CHEMBL3964880
Prediction Result:
Inactive90.98%

V1AR_HUMAN

Docking Scores:
-4.48 -4.79 -5.81
Similarity Score:
6.03%
Best Match:
CHEMBL269012
Prediction Result:
Inactive97.56%

VIPR1_HUMAN

Docking Scores:
-4.87 -4.84 -5.07
Similarity Score:
4.73%
Best Match:
CHEMBL3884667
Prediction Result:
N/A