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Congeneric ligands similar to M07
Computationally docked structures of congeneric ligands similar to
BDBM34106
. This Compound is an exact match to PDB HET ID
M07
in crystal structure
2QRG
, and this crystal structure was used to guide the docking calculations.
Protein
2QRG
Reference
M07
,
BDBM34106
Display
Compound
Structure File
Surflex Score*
Ki(nM)
IC50(nM)
Kd(nM)
BDBM34106
2QRG-results_34106.mol2
11.4026
6600
BDBM34107
2QRG-results_34107.mol2
11.4105
7900
BDBM34108
2QRG-results_34108.mol2
10.8414
19600
BDBM34109
2QRG-results_34109.mol2
10.5325
92500
BDBM34110
2QRG-results_34110.mol2
11.8880
630
*Higher Surflex scores correspond to higher quality docked structures.
Crystal structure of M07 from the 2QRG 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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