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Congeneric ligands similar to LZQ
Computationally docked structures of congeneric ligands similar to
BDBM50341992
. This Compound is an exact match to PDB HET ID
LZQ
in crystal structure
3EB1
, and this crystal structure was used to guide the docking calculations.
Protein
3EB1
Reference
LZQ
,
BDBM50341992
Display
Compound
Structure File
Surflex Score*
Ki(nM)
IC50(nM)
Kd(nM)
BDBM50341992
3EB1-results_50341992.mol2
3.0817
20000
*Higher Surflex scores correspond to higher quality docked structures.
Crystal structure of LZQ from the 3EB1 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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