Result of 1330857189rX (serial #: 349447)
This idTarget task has been finished.
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Task Infomation
Task ID:
1330857189rX
Seiral #:
349447
Submitted at
2012-03-13 09:09:17
Finished at
2012-03-13 09:19:49
Current time:
2024-04-24 16:53:53
Protein set: User-edited list (11 targets)
Charge models for Ligand/Protein: AM1-BCC/Amber PARM99SB
Docking parameters
Number of individuals:
100
Number of generations:
10000
Number of local search iterations:
500
Number of runs:
10
no email provided
The PDB entries with the same target name are merged in this table. You can click on to expand or collapse the next layer. Only those with ΔGpred lower than -5 kcal/mol are shown below.
Protein name
PDB ID
ΔGpred (kcal/mol)
Kipred
Z-score
ligand poses
PDB link
Ig gamma-1 chain C region secreted form
-9.51
106.8nM
0.64
HIV-1 protease
-9.37
135.2nM
0.74
3-hydroxy-3-methylglutaryl-coenzyme A reductase
-9.12
206.2nM
-0.35
Undefined name
-8.78
366.1nM
1.15
Histone deacetylase 2
-8.50
587.2nM
1.36
Endothiapepsin
-8.46
628.3nM
1.50
Cationic trypsin
-8.39
707.1nM
1.42
Carbonic anhydrase 2
-8.27
865.8nM
-1.21
Beta-2-microglobulin
-8.06
1.2uM
1.65
Histone deacetylase 3
-7.84
1.8uM
1.80
Hemagglutinin
-7.74
2.1uM
1.87
Target protein from PDB id: 1DBB
Protein representation:
lines
cartoon
surface
original crystal complexed ligand
to expand or collapse the next layer. Only those with ΔGpred lower than -5 kcal/mol are shown below.
