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IC50
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Full input and output files for computationally docked structures of congeneric ligands similar to
BDBM10847
=
TEP
in crystal structure
2A3A
2A3A-results_BindingDB_50388142.mol2
2A3A_ligand5.mol2
2A3A-results_BindingDB_10849.mol2
BindingDB_50388143.docklog.mol2
prot-log.txt
BindingDB_10849.docklog.mol2
2A3A-results_BindingDB_50388141.mol2
2A3A.csv
BindingDB_50388142.docklog.mol2
2A3A.mol2
2A3A_water.mol2
2A3A-voxthresh-4.pdb
2A3A_ligand2.mol2
BindingDB_50388141.docklog.results_tab.log
2A3A-results_BindingDB_10850.mol2
TEP.sdf
2A3A-voxthresh-7.pdb
BindingDB_50388142.mol2
BindingDB_10847.mol2
2A3A-voxthresh-3.pdb
log-results.mol2
BindingDB_10847.docklog
BindingDB_50388141.docklog
2A3A-marked-vox.pdb
2A3A-results_tab.log
2A3A-voxthresh-6.pdb
BindingDB_50388141.docklog.mol2
2A3A_congener-log.txt
2A3A.opt-protein-trim.mol2
2A3A-voxthresh-2.pdb
BindingDB_50388141.frags.mol2
bdb_2A3A_TEP_sim.txt
BindingDB_50388143.docklog
BindingDB_10849.mol2
2A3A-marked-protein.pdb
BindingDB_10849.docklog
log-results_tab.log
BindingDB_10849.frags.mol2
protein_sampling.mol2
BindingDB_10850.docklog.results_tab.log
BindingDB_10847.docklog.mol2
2A3A.pdb
BindingDB_10849.docklog.results_tab.log
BindingDB_10850.docklog
BindingDB_50388141.mol2
2A3A_sdf.mol2
2A3A-voxthresh-5.pdb
log
BindingDB_10847.docklog.results_tab.log
2A3A-results.mol2
ligand_sampling.mol2
BindingDB_10847.frags.mol2
BindingDB_50388143.docklog.results_tab.log
BindingDB_50388142.docklog
2A3A-voxthresh-9.pdb
BindingDB_10850.frags.mol2
BindingDB_50388142.docklog.results_tab.log
BindingDB_10850.docklog.mol2
2A3A-voxthresh-0.pdb
scale
frag2.mol2
2A3A_congener.mol2
prot.mol2
BindingDB_50388142.frags.mol2
BindingDB_50388143.frags.mol2
2A3A-results_BindingDB_10847.mol2
2A3A_ligand1.mol2
UnDockable.list
2A3A-voxthresh-1.pdb
2A3A-protomol.mol2
BindingDB_10850.mol2
bdb_2A3A_TEP_3D.sdf
2A3A_sdf-log.txt
BindingDB_50388143.mol2
2A3A_ligand3.mol2
2A3A-voxthresh-8.pdb
2A3A_ligand0.mol2
2A3A.Targets
2A3A_ligand6.mol2
frag1.mol2
2A3A_ligand4.mol2