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Congeneric ligands similar to L0G
Computationally docked structures of congeneric ligands similar to
BDBM27087
. This Compound is an exact match to PDB HET ID
L0G
in crystal structure
2W1G
, and this crystal structure was used to guide the docking calculations.
Protein
2W1G
Reference
L0G
,
BDBM27087
Display
Compound
Structure File
Surflex Score*
Ki(nM)
IC50(nM)
Kd(nM)
BDBM27077
2W1G-results_27077.mol2
4.8362
70
BDBM27078
2W1G-results_27078.mol2
4.6616
6
BDBM27079
2W1G-results_27079.mol2
7.3861
4
BDBM27083
2W1G-results_27083.mol2
7.2730
2
BDBM27085
2W1G-results_27085.mol2
6.9380
13
BDBM27086
2W1G-results_27086.mol2
7.6952
26
BDBM27087
2W1G-results_27087.mol2
6.4925
3
*Higher Surflex scores correspond to higher quality docked structures.
Crystal structure of L0G from the 2W1G is used as reference for docking the others.
CSV
file for this table;
mol2
file for the ligands.
Docked with
Surflex v2710
. Full input and output files are
here
.
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