Thesis_example #72 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

CASP1_HUMAN

Docking Scores:
-5.12 -6.11 -5.13
Similarity Score:
11.86%
Best Match:
CHEMBL252716

CDK5_HUMAN

Docking Scores:
-7.56 -8.23 -8.54
Similarity Score:
12.73%
Best Match:
CHEMBL1994526

CHLE_HUMAN

Docking Scores:
-7.28 -6.97 -7.09
Similarity Score:
36.84%
Best Match:
CHEMBL498645

CNR1_HUMAN

Docking Scores:
-7.55 -7.32 -8.50
Similarity Score:
15.22%
Best Match:
CHEMBL3809355

CNR2_HUMAN

Docking Scores:
-8.14 -7.65
Similarity Score:
27.27%
Best Match:
CHEMBL3360190

COLI_HUMAN

Docking Scores:
-7.38 -7.17 -7.05
Similarity Score:
N/A
Best Match:
N/A

COMT_HUMAN

Docking Scores:
-5.88 -5.44 -5.75
Similarity Score:
3.77%
Best Match:
CHEMBL3425731

CRP_HUMAN

Docking Scores:
-4.81 -4.79
Similarity Score:
N/A
Best Match:
N/A

CXCR1_HUMAN

Docking Scores:
-7.81
Similarity Score:
4.84%
Best Match:
CHEMBL191413

CXCR4_HUMAN

Docking Scores:
-8.25 -5.56 -7.43
Similarity Score:
9.80%
Best Match:
CHEMBL2170299

DRD2_HUMAN

Docking Scores:
-7.18
Similarity Score:
12.73%
Best Match:
CHEMBL78916

DRD3_HUMAN

Docking Scores:
-7.39
Similarity Score:
15.22%
Best Match:
CHEMBL1123

DRD4_HUMAN

Docking Scores:
-7.76 -7.72
Similarity Score:
11.32%
Best Match:
CHEMBL162762

EDN1_HUMAN

Docking Scores:
-7.23
Similarity Score:
N/A
Best Match:
N/A

ESR1_HUMAN

Docking Scores:
-7.46 -7.46 -7.32
Similarity Score:
25.93%
Best Match:
CHEMBL1200623

FABP5_HUMAN

Docking Scores:
-6.50 -4.95 -5.17
Similarity Score:
30.00%
Best Match:
CHEMBL82293

FYN_HUMAN

Docking Scores:
-7.57
Similarity Score:
20.00%
Best Match:
CHEMBL334255

GLRA3_HUMAN

Docking Scores:
-7.77 -7.70 -7.51
Similarity Score:
2.07%
Best Match:
CHEMBL4070615

GLRA3_HUMAN

Docking Scores:
-7.56
Similarity Score:
2.07%
Best Match:
CHEMBL4070615

GRM5_HUMAN

Docking Scores:
-6.83 -8.80 -8.59
Similarity Score:
20.59%
Best Match:
CHEMBL1783985