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Congeneric ligands similar to ZS0
Computationally docked structures of congeneric ligands similar to
BDBM92467
. This Compound is an exact match to PDB HET ID
ZS0
in crystal structure
3ZS0
, and this crystal structure was used to guide the docking calculations.
Protein
3ZS0
Reference
ZS0
,
BDBM92467
Display
Compound
Structure File
Surflex Score*
Ki(nM)
IC50(nM)
Kd(nM)
BDBM92466
3ZS0-results_92466.mol2
0.2200
1000
BDBM92467
3ZS0-results_92467.mol2
1.1368
19953
BDBM92468
3ZS0-results_92468.mol2
1.1962
400
BDBM92469
3ZS0-results_92469.mol2
0.9764
63096
*Higher Surflex scores correspond to higher quality docked structures.
Crystal structure of ZS0 from the 3ZS0 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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