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Congeneric ligands similar to FMS
Computationally docked structures of congeneric ligands similar to
BDBM50044311
. This Compound is an exact match to PDB HET ID
FMS
in crystal structure
1BCD
, and this crystal structure was used to guide the docking calculations.
Protein
1BCD
Reference
FMS
,
BDBM50044311
Display
Compound
Structure File
Surflex Score*
Ki(nM)
IC50(nM)
Kd(nM)
BDBM11366
1BCD-results_11366.mol2
4.5582
30
BDBM50044311
1BCD-results_50044311.mol2
4.1002
130;91
BDBM50044318
1BCD-results_50044318.mol2
1.8261
125893
*Higher Surflex scores correspond to higher quality docked structures.
Crystal structure of FMS from the 1BCD 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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