TestNK #209 Output Download CSV

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

Docking Scores:
-10.49 -8.81 -10.61
Similarity Score:
39.64%
Best Match:
CHEMBL1088072
Prediction Result:
Active67.25%

5HT1B_HUMAN

Docking Scores:
-11.20 -11.15 -10.56
Similarity Score:
36.36%
Best Match:
CHEMBL159381
Prediction Result:
N/A

5HT1D_HUMAN

Docking Scores:
-10.50 -10.14 -10.84
Similarity Score:
36.36%
Best Match:
CHEMBL348304
Prediction Result:
N/A

5HT1E_HUMAN

Docking Scores:
-11.30 -9.68 -10.01
Similarity Score:
24.42%
Best Match:
CHEMBL103479
Prediction Result:
Active57.48%

5HT1F_HUMAN

Docking Scores:
-9.85 -11.74 -11.21
Similarity Score:
26.92%
Best Match:
CHEMBL320198
Prediction Result:
Inactive63.72%

5HT2A_HUMAN

Docking Scores:
-10.52 -12.06
Similarity Score:
41.62%
Best Match:
CHEMBL328662
Prediction Result:
N/A

5HT2B_HUMAN

Docking Scores:
-11.36 -10.94 -11.31
Similarity Score:
38.56%
Best Match:
CHEMBL422931
Prediction Result:
N/A

5HT2C_HUMAN

Docking Scores:
-10.88 -10.70
Similarity Score:
41.62%
Best Match:
CHEMBL328662
Prediction Result:
N/A

5HT4R_HUMAN

Docking Scores:
-10.92 -10.65 -10.69
Similarity Score:
34.74%
Best Match:
CHEMBL3741508
Prediction Result:
Inactive77.88%

5HT5A_HUMAN

Docking Scores:
-11.28 -8.39 -8.81
Similarity Score:
28.72%
Best Match:
CHEMBL403102
Prediction Result:
Inactive83.97%

5HT6R_HUMAN

Docking Scores:
-9.52 -9.63 -9.71
Similarity Score:
29.86%
Best Match:
CHEMBL900
Prediction Result:
Active54.78%

5HT7R_HUMAN

Docking Scores:
-11.87 -10.33 -10.53
Similarity Score:
36.78%
Best Match:
CHEMBL329566
Prediction Result:
Inactive55.91%

AA1R_HUMAN

Docking Scores:
-10.24 -10.53 -8.31
Similarity Score:
34.09%
Best Match:
CHEMBL3763434
Prediction Result:
N/A

AA2AR_HUMAN

Docking Scores:
-9.84 -10.08 -10.89
Similarity Score:
36.10%
Best Match:
CHEMBL3911977
Prediction Result:
N/A

AA2BR_HUMAN

Docking Scores:
-10.67 -10.82 -9.95
Similarity Score:
28.33%
Best Match:
CHEMBL202828
Prediction Result:
Inactive74.64%

AA3R_HUMAN

Docking Scores:
-6.00 -1.48 -6.13
Similarity Score:
35.33%
Best Match:
CHEMBL197027
Prediction Result:
Inactive99.99%

ACM1_HUMAN

Docking Scores:
-9.35 8.75
Similarity Score:
34.38%
Best Match:
CHEMBL2110892
Prediction Result:
N/A

ACM2_HUMAN

Docking Scores:
-10.96 -10.18 -9.00
Similarity Score:
37.85%
Best Match:
CHEMBL51096
Prediction Result:
Active56.39%

ACM3_HUMAN

Docking Scores:
-10.63 -10.96 -10.72
Similarity Score:
40.36%
Best Match:
CHEMBL1921938
Prediction Result:
Active64.47%

ACM4_HUMAN

Docking Scores:
-9.84 -8.34
Similarity Score:
34.81%
Best Match:
CHEMBL292857
Prediction Result:
N/A

ACM5_HUMAN

Docking Scores:
-11.50 -12.29 -11.31
Similarity Score:
34.19%
Best Match:
CHEMBL2042554
Prediction Result:
Active88.48%

ACTHR_HUMAN

Docking Scores:
-11.41 -10.83 -11.25
Similarity Score:
N/A
Best Match:
N/A
Prediction Result:
N/A

ADA1D_HUMAN

Docking Scores:
-10.36 -9.96 -8.74
Similarity Score:
39.64%
Best Match:
CHEMBL1088072
Prediction Result:
Active61.77%

ADA2A_HUMAN

Docking Scores:
-0.49 -0.70 2.39
Similarity Score:
36.78%
Best Match:
CHEMBL329566
Prediction Result:
Inactive99.99%

ADA2B_HUMAN

Docking Scores:
-10.61 -10.84 -9.05
Similarity Score:
31.58%
Best Match:
CHEMBL60889
Prediction Result:
Inactive65.27%

ADA2C_HUMAN

Docking Scores:
0.70 2.96 2.46
Similarity Score:
36.78%
Best Match:
CHEMBL329566
Prediction Result:
Inactive99.99%

ADRB1_HUMAN

Docking Scores:
-11.35 -10.09 -9.84
Similarity Score:
30.06%
Best Match:
CHEMBL1084891
Prediction Result:
Active68.20%

ADRB2_HUMAN

Docking Scores:
-8.70 -9.15 -11.02
Similarity Score:
33.50%
Best Match:
CHEMBL235612
Prediction Result:
N/A

ADRB3_HUMAN

Docking Scores:
-12.15 -10.31 -10.89
Similarity Score:
42.33%
Best Match:
CHEMBL4087670
Prediction Result:
N/A

AGTR2_HUMAN

Docking Scores:
-11.71 -11.57 -12.11
Similarity Score:
27.80%
Best Match:
CHEMBL444065
Prediction Result:
N/A

BKRB2_HUMAN

Docking Scores:
-11.42 -10.77 -11.39
Similarity Score:
27.78%
Best Match:
CHEMBL559506
Prediction Result:
Inactive59.17%

CALCR_HUMAN

Docking Scores:
-8.00 -8.72 -9.53
Similarity Score:
19.92%
Best Match:
CHEMBL2369907
Prediction Result:
Inactive97.54%

CCKAR_HUMAN

Docking Scores:
-10.25 -8.81 -9.59
Similarity Score:
27.80%
Best Match:
CHEMBL250974
Prediction Result:
Inactive69.24%

CCR1_HUMAN

Docking Scores:
-9.94 -9.72 -9.94
Similarity Score:
33.33%
Best Match:
CHEMBL254316
Prediction Result:
Inactive51.64%

CCR2_HUMAN

Docking Scores:
-9.92 -9.28 -8.65
Similarity Score:
40.11%
Best Match:
CHEMBL3589845
Prediction Result:
Active53.79%

CCR4_HUMAN

Docking Scores:
-9.11 -8.77 -7.84
Similarity Score:
34.68%
Best Match:
CHEMBL1907216
Prediction Result:
Inactive63.88%

CCR5_HUMAN

Docking Scores:
-9.59 -10.21 -9.22
Similarity Score:
39.22%
Best Match:
CHEMBL1077353
Prediction Result:
Inactive57.46%

CLTR1_HUMAN

Docking Scores:
-10.42 -10.74 -11.70
Similarity Score:
29.44%
Best Match:
CHEMBL419796
Prediction Result:
Active56.23%

CNR1_HUMAN

Docking Scores:
-8.44 -10.64 -11.37
Similarity Score:
35.48%
Best Match:
CHEMBL274983
Prediction Result:
N/A

CNR2_HUMAN

Docking Scores:
-10.91 -11.95
Similarity Score:
40.20%
Best Match:
CHEMBL1760931
Prediction Result:
N/A

CXCR1_HUMAN

Docking Scores:
-1.99
Similarity Score:
27.54%
Best Match:
CHEMBL3609018
Prediction Result:
N/A

CXCR2_HUMAN

Docking Scores:
-9.87 -9.72 -8.91
Similarity Score:
30.45%
Best Match:
CHEMBL3980279
Prediction Result:
Inactive72.55%

CXCR3_HUMAN

Docking Scores:
-11.19 -11.14 -10.70
Similarity Score:
38.43%
Best Match:
CHEMBL230453
Prediction Result:
Active69.90%

CXCR4_HUMAN

Docking Scores:
-11.03 -8.30 -8.75
Similarity Score:
33.55%
Best Match:
CHEMBL3948266
Prediction Result:
N/A

DRD1_HUMAN

Docking Scores:
-9.97 -10.82 -10.04
Similarity Score:
36.78%
Best Match:
CHEMBL329566
Prediction Result:
Active50.53%

DRD2_HUMAN

Docking Scores:
-10.04
Similarity Score:
38.46%
Best Match:
CHEMBL109299
Prediction Result:
N/A

DRD3_HUMAN

Docking Scores:
-9.49
Similarity Score:
38.46%
Best Match:
CHEMBL109299
Prediction Result:
N/A

DRD4_HUMAN

Docking Scores:
-12.13 -12.31
Similarity Score:
38.56%
Best Match:
CHEMBL3335543
Prediction Result:
N/A

DRD5_HUMAN

Docking Scores:
-11.24 -10.78 -10.24
Similarity Score:
26.23%
Best Match:
CHEMBL116463
Prediction Result:
Active79.56%

EDNRA_HUMAN

Docking Scores:
-9.72 -9.11 -8.46
Similarity Score:
36.32%
Best Match:
CHEMBL96614
Prediction Result:
Inactive58.12%

GABR1_HUMAN

Docking Scores:
8.52 -2.53 23.30
Similarity Score:
22.28%
Best Match:
CHEMBL2391908
Prediction Result:
Inactive99.99%

GASR_HUMAN

Docking Scores:
-10.11 -7.95 -7.54
Similarity Score:
35.56%
Best Match:
CHEMBL50986
Prediction Result:
Inactive60.65%

GRM1_HUMAN

Docking Scores:
-10.60 -8.44 -8.82
Similarity Score:
33.33%
Best Match:
CHEMBL233708
Prediction Result:
Inactive64.94%

GRM2_HUMAN

Docking Scores:
3.93 6.30 6.05
Similarity Score:
35.12%
Best Match:
CHEMBL4092105
Prediction Result:
Inactive99.99%

GRM3_HUMAN

Docking Scores:
-1.70 -4.17 -2.72
Similarity Score:
28.98%
Best Match:
CHEMBL3927108
Prediction Result:
Inactive99.99%

GRM4_HUMAN

Docking Scores:
2.63 1.98 1.53
Similarity Score:
26.26%
Best Match:
CHEMBL3609737
Prediction Result:
Inactive99.99%

GRM5_HUMAN

Docking Scores:
-5.30 -4.63 -4.15
Similarity Score:
35.45%
Best Match:
CHEMBL3922815
Prediction Result:
N/A

GRM6_HUMAN

Docking Scores:
-0.26 -6.53 -2.18
Similarity Score:
19.57%
Best Match:
CHEMBL1585091
Prediction Result:
Inactive99.99%

GRM7_HUMAN

Docking Scores:
0.65 3.59 1.89
Similarity Score:
24.42%
Best Match:
CHEMBL3560922
Prediction Result:
Inactive99.99%

GRM8_HUMAN

Docking Scores:
4.52 2.83 3.98
Similarity Score:
24.42%
Best Match:
CHEMBL3560922
Prediction Result:
Inactive99.99%

HRH1_HUMAN

Docking Scores:
-7.19
Similarity Score:
41.62%
Best Match:
CHEMBL328662
Prediction Result:
N/A

HRH2_HUMAN

Docking Scores:
-10.91 -10.17 -10.00
Similarity Score:
38.56%
Best Match:
CHEMBL422931
Prediction Result:
Active98.08%

HRH3_HUMAN

Docking Scores:
-9.58 -10.23 -11.02
Similarity Score:
36.02%
Best Match:
CHEMBL571006
Prediction Result:
Inactive54.19%

HRH4_HUMAN

Docking Scores:
-9.55 -7.44 -9.02
Similarity Score:
29.41%
Best Match:
CHEMBL1938971
Prediction Result:
Inactive72.91%

MC3R_HUMAN

Docking Scores:
-11.33 -10.89 -9.48
Similarity Score:
34.48%
Best Match:
CHEMBL380437
Prediction Result:
Inactive55.09%

MC4R_HUMAN

Docking Scores:
-8.63 -8.18 -8.45
Similarity Score:
37.80%
Best Match:
CHEMBL214988
Prediction Result:
Inactive78.83%

MC5R_HUMAN

Docking Scores:
-8.18 -10.59 -6.49
Similarity Score:
32.99%
Best Match:
CHEMBL3890450
Prediction Result:
Inactive95.69%

MSHR_HUMAN

Docking Scores:
-10.12 -9.80 -9.89
Similarity Score:
34.48%
Best Match:
CHEMBL380437
Prediction Result:
Inactive56.82%

NK1R_HUMAN

Docking Scores:
-11.57 -11.71 -12.56
Similarity Score:
100.00%
Best Match:
CHEMBL1471
Prediction Result:
N/A

NK2R_HUMAN

Docking Scores:
-9.34 -9.82 -9.86
Similarity Score:
94.07%
Best Match:
CHEMBL52330
Prediction Result:
Active99.61%

NPBW1_HUMAN

Docking Scores:
-10.36 -10.10 -9.72
Similarity Score:
23.28%
Best Match:
CHEMBL1940539
Prediction Result:
Inactive70.13%

NPFF1_HUMAN

Docking Scores:
-9.52 -9.68 -9.72
Similarity Score:
24.28%
Best Match:
CHEMBL472833
Prediction Result:
Inactive75.72%

NPSR1_HUMAN

Docking Scores:
-10.67 -10.72 -10.89
Similarity Score:
27.91%
Best Match:
CHEMBL469695
Prediction Result:
Active75.75%

NPY1R_HUMAN

Docking Scores:
-10.38 -10.25 -10.24
Similarity Score:
27.49%
Best Match:
CHEMBL2046863
Prediction Result:
N/A

NPY2R_HUMAN

Docking Scores:
-9.52 -10.33 -10.26
Similarity Score:
30.57%
Best Match:
CHEMBL3104179
Prediction Result:
Inactive69.30%

NPY4R_HUMAN

Docking Scores:
-10.64 -11.11 -10.01
Similarity Score:
26.24%
Best Match:
CHEMBL2440912
Prediction Result:
Inactive99.67%

NPY5R_HUMAN

Docking Scores:
-10.04 -10.11 -10.09
Similarity Score:
33.17%
Best Match:
CHEMBL492377
Prediction Result:
Active67.08%

OPRD_HUMAN

Docking Scores:
-9.17 -8.82 -9.79
Similarity Score:
37.23%
Best Match:
CHEMBL3609618
Prediction Result:
N/A

OPRK_HUMAN

Docking Scores:
-12.79 -9.53 -10.04
Similarity Score:
34.52%
Best Match:
CHEMBL4100943
Prediction Result:
N/A

OPRM_HUMAN

Docking Scores:
-10.94 -8.72 -9.78
Similarity Score:
37.66%
Best Match:
CHEMBL228687
Prediction Result:
Inactive54.33%

OPRX_HUMAN

Docking Scores:
-9.71 -9.84 -8.93
Similarity Score:
38.69%
Best Match:
CHEMBL1783823
Prediction Result:
N/A

PTAFR_HUMAN

Docking Scores:
-10.56 -10.30 -10.71
Similarity Score:
36.84%
Best Match:
CHEMBL37358
Prediction Result:
Active62.78%

TAAR1_HUMAN

Docking Scores:
-10.57 -11.20 -11.75
Similarity Score:
37.96%
Best Match:
CHEMBL1446878
Prediction Result:
Inactive71.48%

TSHR_HUMAN

Docking Scores:
-10.04 -12.02 -10.44
Similarity Score:
26.94%
Best Match:
CHEMBL1708839
Prediction Result:
Inactive67.09%

V1AR_HUMAN

Docking Scores:
-9.91 -9.17 -10.74
Similarity Score:
34.58%
Best Match:
CHEMBL1837024
Prediction Result:
Inactive73.63%

VIPR1_HUMAN

Docking Scores:
-9.08 -10.39 -10.38
Similarity Score:
23.18%
Best Match:
CHEMBL520349
Prediction Result:
N/A