E3 Ligase Ligand Database

MGD and E3 ligand related compounds for browsing and docking.
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Structure similarity search Input SMILES or upload SDF/MOL/MOL2/PDB/PDBQT; results use Morgan fingerprint Tanimoto.
67228 compounds match the current filters. 123739 source records are linked to them.
Compound ID Name Formula / MW InChIKey E3 Target Source Docking structure
E3L052421
BDB052421
 BDBM50318095
Cn1nc(C(N)=O)c2c1-c1nc(Nc3cccc(C(F)(F)F)c3)ncc1CC2
 C18H15F3N6O
388.353000		 AHUQZOZSCWOMOS-UHFFFAOYSA-N O14965 Aurora kinase A
BindingDB, PubChem
BindingDB:BDBM50318095; PubChem:CID46886878
 Local ready
Direct docking supported
E3L052422
BDB052422
 BDBM50318096
NC(=O)c1nn(C2CCCCC2)c2c1CCc1cnc(Nc3ccccc3)nc1-2
 C22H24N6O
388.475000		 UUINGAOFFFDPBY-UHFFFAOYSA-N O14965 Aurora kinase A
BindingDB, PubChem
BindingDB:BDBM50318096; PubChem:CID46223565
 Local ready
Direct docking supported
E3L052423
BDB052423
 BDBM50318097
Cn1nc(C(N)=O)c2c1-c1nc(Nc3ccc([N+](=O)[O-])cc3)ncc1CC2
 C17H15N7O3
365.353000		 RNNCVRNBQXSBEN-UHFFFAOYSA-N O14965 Aurora kinase A
BindingDB, PubChem
BindingDB:BDBM50318097; PubChem:CID46887033
 Local ready
Direct docking supported
E3L052424
BDB052424
 BDBM50318098
NC(=O)c1nn(-c2ccccc2)c2c1CCc1cnc(Nc3ccccc3)nc1-2
 C22H18N6O
382.427000		 KGLRLXMTNCPNET-UHFFFAOYSA-N O14965 Aurora kinase A
BindingDB, PubChem
BindingDB:BDBM50318098; PubChem:CID46223563
 Local ready
Direct docking supported
E3L052425
BDB052425
 BDBM50318099
NC(=O)c1nn(CCN2CCCCC2)c2c1CCc1cnc(Nc3ccccc3)nc1-2
 C23H27N7O
417.517000		 ABDGGOBNHQMXIJ-UHFFFAOYSA-N O14965 Aurora kinase A
BindingDB, PubChem
BindingDB:BDBM50318099; PubChem:CID46223797
 Local ready
Direct docking supported
E3L052426
BDB052426
 BDBM50318100
CC(C)n1nc(C(N)=O)c2c1-c1nc(Nc3ccccc3)ncc1CC2
 C19H20N6O
348.410000		 OQCYIOKKFGCDSR-UHFFFAOYSA-N O14965 Aurora kinase A
BindingDB, PubChem
BindingDB:BDBM50318100; PubChem:CID46223566
 Local ready
Direct docking supported
E3L052427
BDB052427
 BDBM50318101
CN1CCC(n2nc(C(N)=O)c3c2-c2nc(Nc4ccccc4)ncc2CC3)CC1
 C22H25N7O
403.490000		 ZDEIBVDDZHUQLD-UHFFFAOYSA-N O14965 Aurora kinase A
BindingDB, PubChem
BindingDB:BDBM50318101; PubChem:CID46223796
 Local ready
Direct docking supported
E3L052428
BDB052428
 BDBM50318102
Cn1nc(C(N)=O)c2c1-c1nc(Nc3ccccc3[N+](=O)[O-])ncc1CC2
 C17H15N7O3
365.353000		 GXNUDSNBBQOPIA-UHFFFAOYSA-N O14965 Aurora kinase A
BindingDB, PubChem
BindingDB:BDBM50318102; PubChem:CID46887031
 Local ready
Direct docking supported
E3L052429
BDB052429
 Cannabidiol
C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1O
 C21H30O2
314.469000		 QHMBSVQNZZTUGM-ZWKOTPCHSA-N P37231 Peroxisome proliferator-activated receptor gamma
BindingDB, PubChem
BindingDB:BDBM50318484; PubChem:CID644019
 Local ready
Direct docking supported
E3L052430
BDB052430
 BDBM50318486
[C][C][C][C][C]c1cc([O])c2c(c1)OC([C])([C][C][C]=C([C])[C])[C]=[C]2
 C21H2O2
286.245000		 JGTREBIZVOOKHB-UHFFFAOYSA-N P37231 Peroxisome proliferator-activated receptor gamma
BindingDB
BindingDB:BDBM50318486
 Local ready
Direct docking supported
E3L052431
BDB052431
 BDBM50318487
[C][C][C][C][C]c1cc([O])c([C]/[C]=C(\[C])[C][C][C]=C([C])[C])c([O])c1
 C21H2O2
286.245000		 SWTFEIIUBMIFPL-UHFFFAOYSA-N P37231 Peroxisome proliferator-activated receptor gamma
BindingDB
BindingDB:BDBM50318487
 Local ready
Direct docking supported
E3L052432
BDB052432
 BDBM50318521
[C][N]C(=O)[C@H]([C])[N]C(=O)[C@H]([C][C][C]N=C([N])[N])[N]C(=O)[C@H]([C])[N]C([C])=O
 C15H3N7O4
345.234000		 YTWRBBQGWYZAKI-QXEWZRGKSA-N P61964 WD repeat-containing protein 5
BindingDB
BindingDB:BDBM50318521
 Local ready
Direct docking supported
E3L052433
BDB052433
 BDBM50318522
[C]C(=O)[N][C@@H]([C])C(=O)[N][C@@H]([C][C][C]N=C([N])[N])C(=O)[N][C@@H]([C])C(=O)N([C])[C]
 C16H3N7O4
357.245000		 DCVJJMIFFBOWCV-NHCYSSNCSA-N P61964 WD repeat-containing protein 5
BindingDB
BindingDB:BDBM50318522
 Local ready
Direct docking supported
E3L052434
BDB052434
 BDBM50318523
[C]OC(=O)[C@H]([C])[N]C(=O)[C@H]([C][C][C]N=C([N])[N])[N]C(=O)[C@H]([C])[N]C([C])=O
 C15H3N6O5
347.226000		 YIAUIWLUWPOYRQ-QXEWZRGKSA-N P61964 WD repeat-containing protein 5
BindingDB
BindingDB:BDBM50318523
 Local ready
Direct docking supported
E3L052435
BDB052435
 BDBM50318524
[C][C@H]([N])C(=O)[N][C@@H]([C][C][C]N=C([N])[N])C(=O)[N][C@H](C(=O)[N][C@@H]([C][C][C][C][N])C(=O)[N][C@@H]([C][C]C([N])=O)C(=O)[N][C@H](C(=O)[N][C@@H]([C])C(=O)[N][C@@H]([C][C][C]N=C([N])[N])C(=O)[N][C@@H]([C][C][C][C][N])C(=O)[N][C@@H]([C][O])C([N])=O)[C@@H]([C])[O])[C@@H]([C])[O]
 C46H12N20O14
1068.728000		 YPZGKQULVSKMLI-ZKJUQCEXSA-N P61964 WD repeat-containing protein 5
BindingDB
BindingDB:BDBM50318524
 Local ready
Direct docking supported
E3L052436
BDB052436
 BDBM50318525
[C]C(=O)[N][C@@H]([C])C(=O)[N][C@@H]([C][C][C]N=C([N])[N])C(=O)[N][C@H](C(=O)[N][C@@H]([C][C][C][C][N])C(=O)[N][C@@H]([C][C]C([N])=O)C(=O)[N][C@H](C(=O)[N][C@@H]([C])C(=O)[N][C@@H]([C][C][C]N=C([N])[N])C(=O)[N][C@@H]([C][C][C][C][N])C(=O)[N][C@@H]([C][O])C([N])=O)[C@@H]([C])[O])[C@@H]([C])[O]
 C48H12N20O15
1108.749000		 JXIVORPWXHKPPM-JPPFDADPSA-N P61964 WD repeat-containing protein 5
BindingDB
BindingDB:BDBM50318525
 Local ready
Direct docking supported
E3L052437
BDB052437
 BDBM50318526
[C][C@H]([N])C(=O)[N][C@@H]([C][C][C]N=C([N])[N])C(=O)[N][C@H](C([N])=O)[C@@H]([C])[O]
 C13H4N7O4
322.220000		 VTKFQVAMQSCLBA-KZVJFYERSA-N P61964 WD repeat-containing protein 5
BindingDB
BindingDB:BDBM50318526
 Local ready
Direct docking supported
E3L052438
BDB052438
 BDBM50318527
[C]C(=O)[N][C@@H]([C])C(=O)[N][C@@H]([C][C][C]N=C([N])[N])C(=O)[N][C@H](C([N])=O)[C@@H]([C])[O]
 C15H4N7O5
362.241000		 VQFFUAVMQDQIER-OEIWMXHLSA-N P61964 WD repeat-containing protein 5
BindingDB
BindingDB:BDBM50318527
 Local ready
Direct docking supported
E3L052439
BDB052439
 BDBM50318528
[C][C@H]([N])C(=O)[N][C@@H]([C][C][C]N=C([N])[N])C(=O)[N][C@H](C(=O)N([C])[C@@H]([C][C][C][C][N])C(=O)[N][C@@H]([C][C]C([N])=O)C(=O)[N][C@H](C(=O)[N][C@@H]([C])C(=O)[N][C@@H]([C][C][C]N=C([N])[N])C(=O)[N][C@@H]([C][C][C][C][N])C(=O)[N][C@@H]([C][O])C([N])=O)[C@@H]([C])[O])[C@@H]([C])[O]
 C47H12N20O14
1080.739000		 KMIJJSPRPLTDQV-NCKQPBNLSA-N P61964 WD repeat-containing protein 5
BindingDB
BindingDB:BDBM50318528
 Local ready
Direct docking supported
E3L052440
BDB052440
 BDBM50318529
[C][N][C][C][C][C][C@@H](C(=O)[N][C@@H]([C][C]C([N])=O)C(=O)[N][C@H](C(=O)[N][C@@H]([C])C(=O)[N][C@@H]([C][C][C]N=C([N])[N])C(=O)[N][C@@H]([C][C][C][C][N])C(=O)[N][C@@H]([C][O])C([N])=O)[C@@H]([C])[O])N([C])C(=O)[C@@H]([N]C(=O)[C@H]([C][C][C]N=C([N])[N])[N]C(=O)[C@H]([C])[N])[C@@H]([C])[O]
 C48H12N20O14
1092.750000		 YHDXHKLAZHYXOQ-GTTQRSHYSA-N P61964 WD repeat-containing protein 5
BindingDB
BindingDB:BDBM50318529
 Local ready
Direct docking supported