mini project 083023_YZ#3 #536 Output Download CSV

View All
Gene Protein
 
  The docking scores are in the AutoDock Vina metric.
L: Nirmatrelvir
CAPSD_DEN2P

Docking Scores:
-6.63
Similarity Score:
N/A
Best Match:
N/A

L: Molnupiravir
CAPSD_DEN2P

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

L: Ritonavir
CAPSD_HCV77

Docking Scores:
-4.54
Similarity Score:
34.04%
Best Match:
CHEMBL3645728

L: Nirmatrelvir
CAPSD_HCV77

Docking Scores:
-4.50
Similarity Score:
60.67%
Best Match:
CHEMBL296588

L: Molnupiravir
CAPSD_HCV77

Docking Scores:
-4.44
Similarity Score:
41.77%
Best Match:
CHEMBL3696815

L: Ritonavir
CAPSD_HED68

Docking Scores:
-10.11 -10.19
Similarity Score:
N/A
Best Match:
N/A

L: Nirmatrelvir
CAPSD_HED68

Docking Scores:
-7.87 -8.58
Similarity Score:
N/A
Best Match:
N/A

L: Molnupiravir
CAPSD_HED68

Docking Scores:
-7.55 -7.96
Similarity Score:
N/A
Best Match:
N/A

L: Ritonavir
CAPSD_ZIKV

Docking Scores:
-6.70 -6.60
Similarity Score:
N/A
Best Match:
N/A

L: Nirmatrelvir
CAPSD_ZIKV

Docking Scores:
-6.58 -5.76
Similarity Score:
N/A
Best Match:
N/A

L: Molnupiravir
CAPSD_ZIKV

Docking Scores:
-5.90 -5.24
Similarity Score:
N/A
Best Match:
N/A

L: Ritonavir
DPM_HHV1K

Docking Scores:
-9.05
Similarity Score:
25.87%
Best Match:
CHEMBL479371

L: Nirmatrelvir
DPM_HHV1K

Docking Scores:
-7.67
Similarity Score:
16.31%
Best Match:
CHEMBL479371

L: Molnupiravir
DPM_HHV1K

Docking Scores:
-7.73
Similarity Score:
17.36%
Best Match:
CHEMBL479371

L: Ritonavir
E1_9HEPC

Docking Scores:
-5.32
Similarity Score:
N/A
Best Match:
N/A

L: Nirmatrelvir
E1_9HEPC

Docking Scores:
-5.46
Similarity Score:
N/A
Best Match:
N/A

L: Molnupiravir
E1_9HEPC

Docking Scores:
-5.28
Similarity Score:
N/A
Best Match:
N/A

L: Ritonavir
E1_HCV77

Docking Scores:
-4.30
Similarity Score:
34.04%
Best Match:
CHEMBL3645728

L: Nirmatrelvir
E1_HCV77

Docking Scores:
-3.96
Similarity Score:
60.67%
Best Match:
CHEMBL296588

L: Molnupiravir
E1_HCV77

Docking Scores:
-3.96
Similarity Score:
41.77%
Best Match:
CHEMBL3696815