Xanax #59 Output Download CSV

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

Docking Scores:
-8.91 -7.78 -9.22
Similarity Score:
33.17%
Best Match:
CHEMBL2419440
Prediction Result:
Inactive74.35%

5HT1B_HUMAN

Docking Scores:
-8.86 -9.30 -9.92
Similarity Score:
33.17%
Best Match:
CHEMBL2419440
Prediction Result:
N/A

5HT1D_HUMAN

Docking Scores:
-9.08 -9.03 -8.68
Similarity Score:
30.11%
Best Match:
CHEMBL272781
Prediction Result:
N/A

5HT1E_HUMAN

Docking Scores:
-9.13 -8.18 -9.34
Similarity Score:
25.93%
Best Match:
CHEMBL3139682
Prediction Result:
Inactive71.31%

5HT1F_HUMAN

Docking Scores:
-8.80 -9.04 -9.08
Similarity Score:
26.17%
Best Match:
CHEMBL126340
Prediction Result:
Inactive69.45%

5HT2A_HUMAN

Docking Scores:
-9.50 -9.67
Similarity Score:
33.17%
Best Match:
CHEMBL2419440
Prediction Result:
N/A

5HT2B_HUMAN

Docking Scores:
-8.61 -8.52 -8.55
Similarity Score:
30.65%
Best Match:
CHEMBL3601563
Prediction Result:
N/A

5HT2C_HUMAN

Docking Scores:
-9.08 -10.87
Similarity Score:
33.69%
Best Match:
CHEMBL338115
Prediction Result:
N/A

5HT4R_HUMAN

Docking Scores:
-10.04 -9.56 -9.20
Similarity Score:
29.02%
Best Match:
CHEMBL3910849
Prediction Result:
Inactive66.01%

5HT5A_HUMAN

Docking Scores:
-7.79 -7.97 -8.14
Similarity Score:
33.91%
Best Match:
CHEMBL295234
Prediction Result:
Inactive65.41%

5HT6R_HUMAN

Docking Scores:
-8.19 -7.73 -9.02
Similarity Score:
29.94%
Best Match:
CHEMBL4104479
Prediction Result:
Inactive61.43%

5HT7R_HUMAN

Docking Scores:
-9.76 -9.45 -9.64
Similarity Score:
35.20%
Best Match:
CHEMBL240888
Prediction Result:
Active53.35%

AA1R_HUMAN

Docking Scores:
-9.46 -8.97 -8.80
Similarity Score:
33.85%
Best Match:
CHEMBL3317566
Prediction Result:
N/A

AA2AR_HUMAN

Docking Scores:
-9.20 -9.96 -10.08
Similarity Score:
33.15%
Best Match:
CHEMBL170215
Prediction Result:
N/A

AA2BR_HUMAN

Docking Scores:
-9.13 -9.53 -8.77
Similarity Score:
30.89%
Best Match:
CHEMBL2322918
Prediction Result:
Inactive50.60%

AA3R_HUMAN

Docking Scores:
-6.25 -8.14 -7.56
Similarity Score:
40.00%
Best Match:
CHEMBL12
Prediction Result:
Active63.93%

ACM1_HUMAN

Docking Scores:
-10.33 -2.38
Similarity Score:
30.63%
Best Match:
CHEMBL1201353
Prediction Result:
N/A

ACM2_HUMAN

Docking Scores:
-9.77 -8.56 -10.53
Similarity Score:
28.96%
Best Match:
CHEMBL520349
Prediction Result:
Inactive67.25%

ACM3_HUMAN

Docking Scores:
-9.60 -9.40 -9.11
Similarity Score:
30.63%
Best Match:
CHEMBL1201353
Prediction Result:
Inactive61.19%

ACM4_HUMAN

Docking Scores:
-10.10 -8.77
Similarity Score:
30.63%
Best Match:
CHEMBL1201353
Prediction Result:
N/A

ACM5_HUMAN

Docking Scores:
-9.24 -9.42 -9.31
Similarity Score:
30.63%
Best Match:
CHEMBL1201353
Prediction Result:
Active54.73%

ACTHR_HUMAN

Docking Scores:
-9.08 -8.77 -9.17
Similarity Score:
N/A
Best Match:
N/A
Prediction Result:
N/A

ADA1D_HUMAN

Docking Scores:
-8.97 -9.85 -9.27
Similarity Score:
28.78%
Best Match:
CHEMBL1113
Prediction Result:
Inactive67.26%

ADA2A_HUMAN

Docking Scores:
-4.70 -6.70 -5.28
Similarity Score:
29.15%
Best Match:
CHEMBL315772
Prediction Result:
Active59.81%

ADA2B_HUMAN

Docking Scores:
-11.33 -10.10 -6.90
Similarity Score:
28.78%
Best Match:
CHEMBL1113
Prediction Result:
Inactive67.21%

ADA2C_HUMAN

Docking Scores:
1.03 2.99 0.89
Similarity Score:
29.15%
Best Match:
CHEMBL315772
Prediction Result:
Inactive99.99%

ADRB1_HUMAN

Docking Scores:
-8.94 -9.17 -10.12
Similarity Score:
28.96%
Best Match:
CHEMBL520349
Prediction Result:
Inactive61.15%

ADRB2_HUMAN

Docking Scores:
-8.94 -8.92 -9.04
Similarity Score:
33.91%
Best Match:
CHEMBL295234
Prediction Result:
N/A

ADRB3_HUMAN

Docking Scores:
-9.74 -9.71 -9.67
Similarity Score:
29.15%
Best Match:
CHEMBL315772
Prediction Result:
N/A

AGTR2_HUMAN

Docking Scores:
-9.27 -9.79 -9.54
Similarity Score:
29.44%
Best Match:
CHEMBL288705
Prediction Result:
N/A

BKRB2_HUMAN

Docking Scores:
-8.65 -10.20 -9.57
Similarity Score:
29.54%
Best Match:
CHEMBL282562
Prediction Result:
Inactive63.97%

CALCR_HUMAN

Docking Scores:
-7.99 -9.16 -8.42
Similarity Score:
16.04%
Best Match:
CHEMBL2369907
Prediction Result:
Inactive98.92%

CCKAR_HUMAN

Docking Scores:
-9.54 -8.90 -9.89
Similarity Score:
33.49%
Best Match:
CHEMBL9506
Prediction Result:
Inactive62.74%

CCR1_HUMAN

Docking Scores:
-8.89 -8.58 -8.56
Similarity Score:
31.88%
Best Match:
CHEMBL142925
Prediction Result:
Inactive71.44%

CCR2_HUMAN

Docking Scores:
-8.13 -8.23 -7.62
Similarity Score:
27.78%
Best Match:
CHEMBL2207085
Prediction Result:
Inactive81.32%

CCR4_HUMAN

Docking Scores:
-8.27 -7.44 -8.70
Similarity Score:
27.78%
Best Match:
CHEMBL2207085
Prediction Result:
Inactive72.86%

CCR5_HUMAN

Docking Scores:
-8.62 -9.28 -8.76
Similarity Score:
28.36%
Best Match:
CHEMBL3219780
Prediction Result:
Inactive89.33%

CLTR1_HUMAN

Docking Scores:
-7.89 -9.04 -9.41
Similarity Score:
28.14%
Best Match:
CHEMBL11905
Prediction Result:
Inactive75.72%

CNR1_HUMAN

Docking Scores:
-7.80 -9.84 -9.91
Similarity Score:
35.19%
Best Match:
CHEMBL274983
Prediction Result:
N/A

CNR2_HUMAN

Docking Scores:
-9.85 -10.76
Similarity Score:
34.95%
Best Match:
CHEMBL1760930
Prediction Result:
N/A

CXCR1_HUMAN

Docking Scores:
-6.73
Similarity Score:
27.67%
Best Match:
CHEMBL139
Prediction Result:
N/A

CXCR2_HUMAN

Docking Scores:
-9.60 -7.91 -7.94
Similarity Score:
29.72%
Best Match:
CHEMBL3104900
Prediction Result:
Inactive73.27%

CXCR3_HUMAN

Docking Scores:
-9.40 -9.54 -9.64
Similarity Score:
26.67%
Best Match:
CHEMBL1086280
Prediction Result:
Inactive80.19%

CXCR4_HUMAN

Docking Scores:
-8.68 -7.74 -8.64
Similarity Score:
26.74%
Best Match:
CHEMBL1682997
Prediction Result:
N/A

DRD1_HUMAN

Docking Scores:
-8.94 -9.09 -8.88
Similarity Score:
29.29%
Best Match:
CHEMBL385295
Prediction Result:
Inactive51.30%

DRD2_HUMAN

Docking Scores:
-8.42
Similarity Score:
33.17%
Best Match:
CHEMBL2419440
Prediction Result:
N/A

DRD3_HUMAN

Docking Scores:
-8.88
Similarity Score:
29.15%
Best Match:
CHEMBL315772
Prediction Result:
N/A

DRD4_HUMAN

Docking Scores:
-8.62 -8.51
Similarity Score:
30.34%
Best Match:
CHEMBL303519
Prediction Result:
N/A

DRD5_HUMAN

Docking Scores:
-10.49 -10.87 -8.02
Similarity Score:
27.17%
Best Match:
CHEMBL245570
Prediction Result:
Inactive61.03%

EDNRA_HUMAN

Docking Scores:
-8.27 -8.35 -8.47
Similarity Score:
41.52%
Best Match:
CHEMBL96614
Prediction Result:
Active63.96%

GABR1_HUMAN

Docking Scores:
4.59 2.78 5.43
Similarity Score:
20.00%
Best Match:
CHEMBL2391908
Prediction Result:
Inactive99.99%

GASR_HUMAN

Docking Scores:
-9.98 -8.62 -7.27
Similarity Score:
68.48%
Best Match:
CHEMBL298705
Prediction Result:
Active91.08%

GRM1_HUMAN

Docking Scores:
-8.13 -8.10 -6.37
Similarity Score:
31.55%
Best Match:
CHEMBL246611
Prediction Result:
Inactive66.20%

GRM2_HUMAN

Docking Scores:
2.63 0.14 2.81
Similarity Score:
32.18%
Best Match:
CHEMBL3883827
Prediction Result:
Inactive99.99%

GRM3_HUMAN

Docking Scores:
-4.23 -5.57 -7.37
Similarity Score:
28.51%
Best Match:
CHEMBL3885379
Prediction Result:
Inactive99.99%

GRM4_HUMAN

Docking Scores:
-0.19 -0.22 -0.79
Similarity Score:
29.80%
Best Match:
CHEMBL3901929
Prediction Result:
Inactive99.99%

GRM5_HUMAN

Docking Scores:
-7.54 -4.24 -5.38
Similarity Score:
31.18%
Best Match:
CHEMBL390802
Prediction Result:
N/A

GRM6_HUMAN

Docking Scores:
-5.52 -6.27 -6.03
Similarity Score:
19.23%
Best Match:
CHEMBL1585091
Prediction Result:
Inactive92.65%

GRM7_HUMAN

Docking Scores:
-4.25 -4.23 -2.73
Similarity Score:
24.07%
Best Match:
CHEMBL3560922
Prediction Result:
Inactive99.99%

GRM8_HUMAN

Docking Scores:
-0.13 0.63 -0.44
Similarity Score:
24.07%
Best Match:
CHEMBL3560922
Prediction Result:
Inactive99.99%

HRH1_HUMAN

Docking Scores:
-10.30
Similarity Score:
39.25%
Best Match:
CHEMBL451
Prediction Result:
N/A

HRH2_HUMAN

Docking Scores:
-9.80 -9.26 -8.25
Similarity Score:
28.96%
Best Match:
CHEMBL520349
Prediction Result:
Active94.34%

HRH3_HUMAN

Docking Scores:
-7.02 -8.98 -8.67
Similarity Score:
31.74%
Best Match:
CHEMBL3238444
Prediction Result:
Inactive65.02%

HRH4_HUMAN

Docking Scores:
-9.65 -8.94 -9.07
Similarity Score:
30.00%
Best Match:
CHEMBL4082297
Prediction Result:
Inactive75.61%

MC3R_HUMAN

Docking Scores:
-8.53 -8.10 -7.71
Similarity Score:
28.96%
Best Match:
CHEMBL520349
Prediction Result:
Inactive75.35%

MC4R_HUMAN

Docking Scores:
-7.29 -7.77 -7.09
Similarity Score:
36.55%
Best Match:
CHEMBL1891068
Prediction Result:
Inactive90.26%

MC5R_HUMAN

Docking Scores:
-7.48 -8.80 -5.57
Similarity Score:
28.96%
Best Match:
CHEMBL520349
Prediction Result:
Inactive95.86%

MSHR_HUMAN

Docking Scores:
-8.64 -9.91 -9.80
Similarity Score:
24.88%
Best Match:
CHEMBL184275
Prediction Result:
Active54.51%

NK1R_HUMAN

Docking Scores:
-8.36 -8.89 -8.40
Similarity Score:
38.89%
Best Match:
CHEMBL357303
Prediction Result:
N/A

NK2R_HUMAN

Docking Scores:
-8.52 -8.76 -8.81
Similarity Score:
30.00%
Best Match:
CHEMBL52330
Prediction Result:
Inactive96.38%

NPBW1_HUMAN

Docking Scores:
-8.24 -8.20 -8.42
Similarity Score:
25.63%
Best Match:
CHEMBL1979187
Prediction Result:
Inactive90.78%

NPFF1_HUMAN

Docking Scores:
-8.94 -8.58 -8.93
Similarity Score:
27.27%
Best Match:
CHEMBL575058
Prediction Result:
Inactive80.18%

NPSR1_HUMAN

Docking Scores:
-9.30 -9.87 -8.79
Similarity Score:
25.51%
Best Match:
CHEMBL1801319
Prediction Result:
Inactive65.76%

NPY1R_HUMAN

Docking Scores:
-10.32 -9.41 -9.40
Similarity Score:
29.63%
Best Match:
CHEMBL3746492
Prediction Result:
N/A

NPY2R_HUMAN

Docking Scores:
-9.14 -8.82 -8.70
Similarity Score:
28.96%
Best Match:
CHEMBL520349
Prediction Result:
Inactive83.02%

NPY4R_HUMAN

Docking Scores:
-8.75 -9.31 -9.01
Similarity Score:
24.09%
Best Match:
CHEMBL2440899
Prediction Result:
Inactive97.04%

NPY5R_HUMAN

Docking Scores:
-8.72 -8.16 -8.41
Similarity Score:
35.60%
Best Match:
CHEMBL494018
Prediction Result:
Inactive64.18%

OPRD_HUMAN

Docking Scores:
-8.18 -8.13 -8.21
Similarity Score:
43.27%
Best Match:
CHEMBL212375
Prediction Result:
N/A

OPRK_HUMAN

Docking Scores:
-9.73 -8.86 -9.46
Similarity Score:
37.67%
Best Match:
CHEMBL127619
Prediction Result:
N/A

OPRM_HUMAN

Docking Scores:
-8.75 -7.76 -8.53
Similarity Score:
37.04%
Best Match:
CHEMBL377340
Prediction Result:
Inactive78.30%

OPRX_HUMAN

Docking Scores:
-8.56 -7.37 -7.93
Similarity Score:
30.48%
Best Match:
CHEMBL466066
Prediction Result:
N/A

PTAFR_HUMAN

Docking Scores:
-9.08 -8.51 -8.95
Similarity Score:
65.79%
Best Match:
CHEMBL20344
Prediction Result:
Active93.81%

TAAR1_HUMAN

Docking Scores:
-9.89 -9.59 -8.88
Similarity Score:
31.79%
Best Match:
CHEMBL3190696
Prediction Result:
Inactive74.86%

TSHR_HUMAN

Docking Scores:
-9.99 -10.41 -9.80
Similarity Score:
27.41%
Best Match:
CHEMBL3964880
Prediction Result:
Inactive93.07%

V1AR_HUMAN

Docking Scores:
-8.38 -8.24 -9.54
Similarity Score:
39.53%
Best Match:
CHEMBL1837037
Prediction Result:
Inactive87.61%

VIPR1_HUMAN

Docking Scores:
-8.58 -8.91 -9.23
Similarity Score:
28.96%
Best Match:
CHEMBL520349
Prediction Result:
N/A