BindingDB logo
myBDB logout
Computationally docked structures of congeneric ligands similar to BDBM5445. This Compound is an exact match to PDB HET ID FMM in crystal structure 3BBT, and this crystal structure was used to guide the docking calculations.
Protein 3BBT
Reference FMM, BDBM5445
DisplayCompoundStructure FileSurflex Score*Ki(nM)IC50(nM)Kd(nM)
BDBM5445 3BBT-results_5445.mol2 9.8310 >100054
*Higher Surflex scores correspond to higher quality docked structures.
Crystal structure of FMM from the 3BBT 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.
Zoom = SHIFT + LEFT MOUSE BUTTON