drug #444 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

2A_HE71

Docking Scores:
-5.78
Similarity Score:
N/A
Best Match:
N/A

2A_HE71M

Docking Scores:
-5.73
Similarity Score:
N/A
Best Match:
N/A

2C_HE71

Docking Scores:
-4.48 -4.78
Similarity Score:
N/A
Best Match:
N/A

3A_9ENTO

Docking Scores:
-4.70
Similarity Score:
N/A
Best Match:
N/A

3A_HE71M

Docking Scores:
-4.20
Similarity Score:
N/A
Best Match:
N/A

3A_HED68

Docking Scores:
-3.93
Similarity Score:
N/A
Best Match:
N/A

3C_HE71

Docking Scores:
-4.33 -5.51
Similarity Score:
N/A
Best Match:
N/A

3C_HED68

Docking Scores:
-4.97
Similarity Score:
N/A
Best Match:
N/A

3D_HE71

Docking Scores:
-5.79
Similarity Score:
N/A
Best Match:
N/A

3D_HED68

Docking Scores:
-5.67
Similarity Score:
N/A
Best Match:
N/A

ACE2_HUMAN

Docking Scores:
-6.42
Similarity Score:
29.69%
Best Match:
CHEMBL254493

CAPSD_9CALI

Docking Scores:
-5.19 -5.12 -5.81
Similarity Score:
N/A
Best Match:
N/A

CAPSD_9ENTO

Docking Scores:
-7.08
Similarity Score:
N/A
Best Match:
N/A

CAPSD_DEN2P

Docking Scores:
-5.30
Similarity Score:
N/A
Best Match:
N/A

CAPSD_HCV77

Docking Scores:
-3.69
Similarity Score:
33.33%
Best Match:
CHEMBL4107993

CAPSD_HED68

Docking Scores:
-6.21 -6.57
Similarity Score:
N/A
Best Match:
N/A

CAPSD_ZIKV

Docking Scores:
-4.92 -5.07
Similarity Score:
N/A
Best Match:
N/A

DPM_HHV1K

Docking Scores:
-5.77
Similarity Score:
15.07%
Best Match:
CHEMBL479371

E1_9HEPC

Docking Scores:
-4.10
Similarity Score:
N/A
Best Match:
N/A

E1_HCV77

Docking Scores:
-3.75
Similarity Score:
33.33%
Best Match:
CHEMBL4107993