Home
About
Info
Download
WebServices
Contact
Congeneric ligands similar to AXB
Computationally docked structures of congeneric ligands similar to
BDBM27877
. This Compound is an exact match to PDB HET ID
AXB
in crystal structure
3DPF
, and this crystal structure was used to guide the docking calculations.
Protein
3DPF
Reference
AXB
,
BDBM27877
Display
Compound
Structure File
Surflex Score*
Ki(nM)
IC50(nM)
Kd(nM)
BDBM27877
3DPF-results_27877.mol2
12.6939
57
BDBM27878
3DPF-results_27878.mol2
11.1611
7
*Higher Surflex scores correspond to higher quality docked structures.
Crystal structure of AXB from the 3DPF 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