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Congeneric ligands similar to RAR
Computationally docked structures of congeneric ligands similar to
BDBM50335530
. This Compound is an exact match to PDB HET ID
RAR
in crystal structure
3FL8
, and this crystal structure was used to guide the docking calculations.
Protein
3FL8
Reference
RAR
,
BDBM50335530
Display
Compound
Structure File
Surflex Score*
Ki(nM)
IC50(nM)
Kd(nM)
BDBM50335530
3FL8-results_50335530.mol2
10.9878
54
BDBM50335532
3FL8-results_50335532.mol2
9.5509
96
BDBM50335533
3FL8-results_50335533.mol2
10.9664
170
*Higher Surflex scores correspond to higher quality docked structures.
Crystal structure of RAR from the 3FL8 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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