gh #495 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

CASP1_HUMAN

Docking Scores:
-5.85 -7.78 -5.98
Similarity Score:
40.00%
Best Match:
CHEMBL400514

CDK5_HUMAN

Docking Scores:
-6.82 -6.48 -6.43
Similarity Score:
24.66%
Best Match:
CHEMBL2000879

CHLE_HUMAN

Docking Scores:
-8.50 -8.24 -8.32
Similarity Score:
45.67%
Best Match:
CHEMBL3586200

CNR1_HUMAN

Docking Scores:
-6.95 -8.03 -8.31
Similarity Score:
44.08%
Best Match:
CHEMBL456341

CNR2_HUMAN

Docking Scores:
-7.30 -8.54
Similarity Score:
44.08%
Best Match:
CHEMBL320408

COLI_HUMAN

Docking Scores:
-7.42 -7.16 -6.23
Similarity Score:
N/A
Best Match:
N/A

COMT_HUMAN

Docking Scores:
-5.86 -5.93 -6.10
Similarity Score:
21.84%
Best Match:
CHEMBL4639358

CRP_HUMAN

Docking Scores:
-5.86 -5.86
Similarity Score:
N/A
Best Match:
N/A

CXCR1_HUMAN

Docking Scores:
-2.16
Similarity Score:
24.22%
Best Match:
CHEMBL220182

CXCR4_HUMAN

Docking Scores:
-7.72 -7.57 -7.09
Similarity Score:
28.57%
Best Match:
CHEMBL4440964

DRD2_HUMAN

Docking Scores:
-7.97
Similarity Score:
34.78%
Best Match:
CHEMBL292186

DRD3_HUMAN

Docking Scores:
-7.99
Similarity Score:
40.14%
Best Match:
CHEMBL4100634

DRD4_HUMAN

Docking Scores:
-7.96 -7.85
Similarity Score:
36.03%
Best Match:
CHEMBL61090

EDN1_HUMAN

Docking Scores:
-6.96
Similarity Score:
N/A
Best Match:
N/A

ESR1_HUMAN

Docking Scores:
-6.41 -7.46 -7.56
Similarity Score:
46.90%
Best Match:
CHEMBL57150

FABP5_HUMAN

Docking Scores:
-8.37 -5.36 -5.70
Similarity Score:
40.00%
Best Match:
CHEMBL4292072

FYN_HUMAN

Docking Scores:
-7.43
Similarity Score:
33.33%
Best Match:
CHEMBL221753

GLRA3_HUMAN

Docking Scores:
-8.84 -8.61 -8.86
Similarity Score:
19.84%
Best Match:
CHEMBL4070615

GLRA3_HUMAN

Docking Scores:
-8.62
Similarity Score:
19.84%
Best Match:
CHEMBL4070615

GRM5_HUMAN

Docking Scores:
-6.66 -5.01 -5.12
Similarity Score:
31.21%
Best Match:
CHEMBL1348198