Home
About
Info
Download
WebServices
Contact
Congeneric ligands similar to 3FT
Computationally docked structures of congeneric ligands similar to
BDBM1542
. This Compound is an exact match to PDB HET ID
3FT
in crystal structure
2BXV
, and this crystal structure was used to guide the docking calculations.
Protein
2BXV
Reference
3FT
,
BDBM1542
Display
Compound
Structure File
Surflex Score*
Ki(nM)
IC50(nM)
Kd(nM)
BDBM16111
2BXV-results_16111.mol2
9.5033
134
*Higher Surflex scores correspond to higher quality docked structures.
Crystal structure of 3FT from the 2BXV 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