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
E3L060481
BDB060481
 BDBM50554657
[C][C]([C])[C][C@H]([N]C(=O)[C]N([C][C@H]([C][C][C][C][N])[N]C(=O)[C@H]([C])[N]C(=O)[C]N([C][C@H]([C]c1ccc([O])cc1)[N]C(=O)[C@H]([C][C]C([O])=O)[N]C(=O)[C]N([C][C@H]([C]c1ccccc1)[N]C(=O)[C]([N]C([C])=O)[C@H]([C])[O])S([C])(=O)=O)S(=O)(=O)c1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1)S(=O)(=O)[C][C]([C])[C])C(=O)[N][C@@H]([C][O])[C]N([C]C(=O)[N][C@@H]([C])C([N])=O)S([C])(=O)=O
 C90H37N15O23S4
1824.636000		 ZZVZEQBDNONMDP-LQRHNHTRSA-N O15151, Q00987 E3 ubiquitin-protein ligase Mdm2, Protein Mdm4
BindingDB
BindingDB:BDBM50554657
 Local ready
Direct docking supported
E3L060482
BDB060482
 BDBM50554658
COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)CN(CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)CN(CC(=O)N[C@@H](C)C(N)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C)C[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)O)NC(=O)CN(C[C@H](Cc2ccccc2)NC(=O)C(NC(C)=O)[C@H](C)O)S(C)(=O)=O)cc1
 C71H113N15O23S4
1673.035000		 RVFUSLUWUGJPNB-MXWKALHWSA-N O15151, Q00987 E3 ubiquitin-protein ligase Mdm2, Protein Mdm4
BindingDB
BindingDB:BDBM50554658
 Local ready
Direct docking supported
E3L060483
BDB060483
 BDBM50554659
CC(=O)NC(C(=O)N[C@@H](Cc1ccccc1)CN(CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)CN(CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)CN(CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)CN(CC(=O)N[C@@H](C)C(N)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C)S(=O)(=O)c1ccc(Cl)cc1)S(C)(=O)=O)[C@H](C)O
 C70H110ClN15O22S4
1677.454000		 KHXPSTWVTQNXKC-WIZPFJGXSA-N O15151, Q00987 E3 ubiquitin-protein ligase Mdm2, Protein Mdm4
BindingDB
BindingDB:BDBM50554659
 Local ready
Direct docking supported
E3L060484
BDB060484
 BDBM50554660
CC(=O)NC(C(=O)N[C@@H](Cc1ccccc1)CN(CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)CN(CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)CN(CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)CN(CC(=O)N[C@@H](C)C(N)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C)S(=O)(=O)c1ccc(Br)cc1)S(C)(=O)=O)[C@H](C)O
 C70H110BrN15O22S4
1721.905000		 FHFXXRFFLJKEGS-WIZPFJGXSA-N Q00987 E3 ubiquitin-protein ligase Mdm2
BindingDB
BindingDB:BDBM50554660
 Local ready
Direct docking supported
E3L060485
BDB060485
 BDBM50554661
CC(=O)NC(C(=O)N[C@@H](Cc1ccccc1)CN(CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)CN(CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)CN(CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)CN(CC(=O)N[C@@H](C)C(N)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C)S(=O)(=O)c1ccc(C(F)(F)F)cc1)S(C)(=O)=O)[C@H](C)O
 C71H110F3N15O22S4
1711.006000		 ZYJYVQVDXIBHPT-WIZPFJGXSA-N O15151, Q00987 Protein Mdm4, E3 ubiquitin-protein ligase Mdm2
BindingDB
BindingDB:BDBM50554661
 Local ready
Direct docking supported
E3L060486
BDB060486
 BDBM50554662
CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CN(CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)CN(CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)CN(CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@@H](C)C(N)=O)S(C)(=O)=O)S(=O)(=O)CCN)S(=O)(=O)CC(C)C)S(=O)(=O)Cc1ccccc1)[C@@H](C)O
 C71H118N16O22S4
1676.083000		 AMJAQKVLBTZRHM-DKDQVWNHSA-N O15151, Q00987 Protein Mdm4, E3 ubiquitin-protein ligase Mdm2
BindingDB
BindingDB:BDBM50554662
 Local ready
Direct docking supported
E3L060487
BDB060487
 BDBM50554663
COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)CN(CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@@H](C)C(N)=O)S(=O)(=O)CC(C)C)S(C)(=O)=O)C[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN(C[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(C)=O)S(C)(=O)=O)cc1
 C77H121N17O22S4
1765.180000		 FLVCZIVPKIGVCV-GTRVRUJHSA-N O15151, Q00987 E3 ubiquitin-protein ligase Mdm2, Protein Mdm4
BindingDB
BindingDB:BDBM50554663
 Local ready
Direct docking supported
E3L060488
BDB060488
 BDBM50554664
CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)O
 C81H123N21O24
1774.998000		 ROPVIPSKEHVALA-FYKWBHTRSA-N O15151, Q00987 Protein Mdm4, E3 ubiquitin-protein ligase Mdm2
BindingDB, PubChem
BindingDB:BDBM50554664; PubChem:CID162669841
 Local ready
Direct docking supported
E3L060489
BDB060489
 BDBM50554665
CC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)CN(CC(=O)N[C@H]1CCC(=O)NCCCC[C@@H](CN(CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)CN(CC(=O)N[C@@H](C)C(N)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C)NC(=O)[C@H](C)NC(=O)CN(S(=O)(=O)c2ccc3ccccc3c2)C[C@H](Cc2ccc(O)cc2)NC1=O)S(C)(=O)=O)[C@@H](C)O
 C74H111N15O22S4
1691.053000		 BMZWJZUZGWBNCZ-GWGWCEOGSA-N Q00987 E3 ubiquitin-protein ligase Mdm2
BindingDB
BindingDB:BDBM50554665
 Local ready
Direct docking supported
E3L060490
BDB060490
 BDBM50554666
CC(C)C[C@H](NC(=O)CN(C[C@@H]1CCCCNC(=O)CC[C@H](NC(=O)CN(C[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CCc2ccccc2)[C@@H](C)O)S(C)(=O)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)CN(S(=O)(=O)c2ccc3ccccc3c2)CC(=O)N[C@@H](C)C(=O)N1)S(=O)(=O)CC(C)C)C(=O)N[C@@H](CO)CN(CC(=O)N[C@@H](C)C(N)=O)S(C)(=O)=O
 C81H117N15O22S4
1781.178000		 XZMPHBVYLCJSDF-VHVFXXNYSA-N Q00987 E3 ubiquitin-protein ligase Mdm2
BindingDB
BindingDB:BDBM50554666
 Local ready
Direct docking supported
E3L060491
BDB060491
 BDBM50554667
CC(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)CN(CC(=O)N[C@H]1CCC(=O)NCCCC[C@@H](CN(CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)CN(CC(=O)N[C@@H](C)C(N)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C)NC(=O)[C@H](C)NC(=O)CN(S(=O)(=O)c2ccc3ccccc3c2)C[C@H](Cc2ccc(O)cc2)NC1=O)S(C)(=O)=O)[C@@H](C)O
 C76H112N16O22S4
1730.090000		 FFHCRZFHMWKVRJ-KAUTWLPSSA-N Q00987 E3 ubiquitin-protein ligase Mdm2
BindingDB
BindingDB:BDBM50554667
 Local ready
Direct docking supported
E3L060492
BDB060492
 BDBM50554668
CC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)CN(CC(=O)N[C@H]1CCC(=O)NCCCC[C@@H](CN(CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)CN(CC(=O)N[C@@H](C)C(N)=O)S(C)(=O)=O)S(C)(=O)=O)NC(=O)[C@H](C)NC(=O)CN(S(=O)(=O)c2ccc3ccccc3c2)C[C@H](Cc2ccc(O)cc2)NC1=O)S(C)(=O)=O)[C@@H](C)O
 C71H105N15O22S4
1648.972000		 BHCTTWZHXFONCR-KSFJRRDYSA-N Q00987 E3 ubiquitin-protein ligase Mdm2
BindingDB
BindingDB:BDBM50554668
 Local ready
Direct docking supported
E3L060493
BDB060493
 BDBM50554669
CCCCCCCCOc1ccc(C(=O)N[C@H](C(=O)O)C(C)C)cc1
 C20H31NO4
349.471000		 JIIPBCFIUGBDHZ-SFHVURJKSA-N P37231, Q07869 Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma
BindingDB, PubChem
BindingDB:BDBM50554669; PubChem:CID90896292
 Local ready
Direct docking supported
E3L060494
BDB060494
 BDBM50554670
CCCCCCOc1ccc(C(=O)N[C@H](C(=O)O)C(C)C)cc1
 C18H27NO4
321.417000		 ICRSRJPPVADSGE-INIZCTEOSA-N P37231 Peroxisome proliferator-activated receptor gamma
BindingDB, PubChem
BindingDB:BDBM50554670; PubChem:CID134179072
 Local ready
Direct docking supported
E3L060495
BDB060495
 BDBM50554671
CCCCCCOc1ccc(C(=O)N[C@H](C(=O)NO)C(C)C)cc1
 C18H28N2O4
336.432000		 GUGHZGUQZCBZHP-INIZCTEOSA-N P37231 Peroxisome proliferator-activated receptor gamma
BindingDB, PubChem
BindingDB:BDBM50554671; PubChem:CID134179433
 Local ready
Direct docking supported
E3L060496
BDB060496
 BDBM50555100
Cc1noc(C)c1-c1[nH]ncc1-c1ccncc1
 C13H12N4O
240.266000		 JYTPHNOPQGAILG-UHFFFAOYSA-N Q9BZ95 Histone-lysine N-methyltransferase NSD3
BindingDB, PubChem
BindingDB:BDBM50555100; PubChem:CID95857692
 Local ready
Direct docking supported
E3L060497
BDB060497
 BI-9321
Cc1cc(CN)cc(C)c1-c1ncn(C)c1-c1ccnc2cc(F)ccc12
 C22H21FN4
360.436000		 WOAOENGFAAUUGT-UHFFFAOYSA-N Q9BZ95 Histone-lysine N-methyltransferase NSD3
BindingDB, PubChem
BindingDB:BDBM50555101; PubChem:CID138115329
 Local ready
Direct docking supported
E3L060498
BDB060498
 BDBM50555355
CC#Cc1nc(NCc2cccc(Br)c2)c2ncn(C[C@@H]3SC[C@@H](O)[C@H]3O)c2n1
 C20H20BrN5O2S
474.384000		 OSDCSENONORYFR-RVKKMQEKSA-N P37231 Peroxisome proliferator-activated receptor gamma
BindingDB, PubChem
BindingDB:BDBM50555355; PubChem:CID162658446
 Local ready
Direct docking supported
E3L060499
BDB060499
 BDBM50555356
CC#Cc1nc(NCc2cccc(F)c2)c2ncn(C[C@@H]3SC[C@@H](O)[C@H]3O)c2n1
 C20H20FN5O2S
413.478000		 HNVNRPRYPAWAGL-RVKKMQEKSA-N P37231 Peroxisome proliferator-activated receptor gamma
BindingDB, PubChem
BindingDB:BDBM50555356; PubChem:CID162655908
 Local ready
Direct docking supported
E3L060500
BDB060500
 BDBM50555357
O[C@@H]1[C@H](O)CS[C@H]1Cn1cnc2c(NCc3cccc(I)c3)nc(Cl)nc21
 C17H17ClIN5O2S
517.780000		 HEYKDSRQXAECCF-MBNYWOFBSA-N P37231 Peroxisome proliferator-activated receptor gamma
BindingDB, PubChem
BindingDB:BDBM50555357; PubChem:CID52947020
 Local ready
Direct docking supported