BindingDB logo
myBDB logout
Computationally docked structures of congeneric ligands similar to BDBM24649. This Compound is an exact match to PDB HET ID LZA in crystal structure 2VTQ, and this crystal structure was used to guide the docking calculations.
Protein 2VTQ
Reference LZA, BDBM24649
DisplayCompoundStructure FileSurflex Score*Ki(nM)IC50(nM)Kd(nM)
BDBM24639 2VTQ-results_24639.mol2 4.8659 850
BDBM24641 2VTQ-results_24641.mol2 3.0754 1600
BDBM24642 2VTQ-results_24642.mol2 6.5705 90
BDBM24643 2VTQ-results_24643.mol2 6.6450 140
BDBM24644 2VTQ-results_24644.mol2 6.6936 3
BDBM24645 2VTQ-results_24645.mol2 6.8727 25
BDBM24646 2VTQ-results_24646.mol2 7.5736 12
BDBM24647 2VTQ-results_24647.mol2 7.7267 19
BDBM24648 2VTQ-results_24648.mol2 7.9409 38
BDBM24649 2VTQ-results_24649.mol2 8.9015 140
BDBM24650 2VTQ-results_24650.mol2 7.7767 44
BDBM24651 2VTQ-results_24651.mol2 8.9358 750
BDBM24652 2VTQ-results_24652.mol2 9.1783 35
BDBM24653 2VTQ-results_24653.mol2 8.6881 110
BDBM24654 2VTQ-results_24654.mol2 8.3498 47
*Higher Surflex scores correspond to higher quality docked structures.
Crystal structure of LZA from the 2VTQ 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