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Congeneric ligands similar to FCF
Computationally docked structures of congeneric ligands similar to
BDBM49091
. This Compound is an exact match to PDB HET ID
FCF
in crystal structure
3FCF
, and this crystal structure was used to guide the docking calculations.
Protein
3FCF
Reference
FCF
,
BDBM49091
Display
Compound
Structure File
Surflex Score*
Ki(nM)
IC50(nM)
Kd(nM)
BDBM36452
3FCF-results_36452.mol2
10.5831
40000
BDBM36453
3FCF-results_36453.mol2
11.6943
1300
BDBM36454
3FCF-results_36454.mol2
9.7864
100000
BDBM36457
3FCF-results_36457.mol2
4.6719
750000
*Higher Surflex scores correspond to higher quality docked structures.
Crystal structure of FCF from the 3FCF 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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