Home
About
Info
Download
WebServices
Contact
Congeneric ligands similar to EZR
Computationally docked structures of congeneric ligands similar to
BDBM35181
. This Compound is an exact match to PDB HET ID
EZR
in crystal structure
3EZR
, and this crystal structure was used to guide the docking calculations.
Protein
3EZR
Reference
EZR
,
BDBM35181
Display
Compound
Structure File
Surflex Score*
Ki(nM)
IC50(nM)
Kd(nM)
BDBM35166
3EZR-results_35166.mol2
11.5984
102
BDBM35167
3EZR-results_35167.mol2
12.1517
4
BDBM35168
3EZR-results_35168.mol2
11.0072
13
BDBM35169
3EZR-results_35169.mol2
12.3047
21500
BDBM35170
3EZR-results_35170.mol2
12.0358
10000
BDBM35171
3EZR-results_35171.mol2
12.1452
10000
BDBM35172
3EZR-results_35172.mol2
11.8778
10000
BDBM35173
3EZR-results_35173.mol2
11.4726
1040
BDBM35174
3EZR-results_35174.mol2
10.6237
6100
BDBM35175
3EZR-results_35175.mol2
11.0426
1730
BDBM35176
3EZR-results_35176.mol2
13.2235
247
BDBM35177
3EZR-results_35177.mol2
11.9489
10000
BDBM35178
3EZR-results_35178.mol2
11.5115
10000
BDBM35179
3EZR-results_35179.mol2
11.8502
109000
BDBM35181
3EZR-results_35181.mol2
11.9364
10000
*Higher Surflex scores correspond to higher quality docked structures.
Crystal structure of EZR from the 3EZR 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