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
E3L013781
BDB013781
 US9603889, Example 24
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(NC(=O)c2ccc(CN(C(=O)[C@@H]3Cc4ccccc4CN3C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(C)c3ccccc3OC)cc2)C[C@H]1C(=O)NC1CCCc2ccccc21)C(C)(C)C
 C62H83N9O8
1082.401000		 NNUBYITXSVFHFX-VWJDLKNGSA-N P98170, Q13489, Q13490 E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3
BindingDB, PubChem
BindingDB:BDBM312113; PubChem:CID138106629
 Local ready
Direct docking supported
E3L013782
BDB013782
 US9603889, Example 25
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(NC(=O)c2ccc(CN(C(=O)[C@@H]3Cc4ccccc4CN3C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(C)Cc3ccccc3F)cc2)C[C@H]1C(=O)NC1CCCc2ccccc21)C(C)(C)C
 C62H82FN9O7
1084.392000		 AZOAWRFEIPJHAZ-JAXRXAILSA-N P98170, Q13489, Q13490 Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP
BindingDB, PubChem
BindingDB:BDBM312114; PubChem:CID138106630
 Local ready
Direct docking supported
E3L013783
BDB013783
 US9603889, Example 26
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(NC(=O)c2ccc(CN(C(=O)[C@@H]3Cc4ccccc4CN3C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(C)c3ccccc3Cl)cc2)C[C@H]1C(=O)NC1CCCc2ccccc21)C(C)(C)C
 C61H80ClN9O7
1086.820000		 JUQLTUQEOXZVES-VZJDYDFESA-N P98170, Q13489, Q13490 Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP
BindingDB, PubChem
BindingDB:BDBM312115; PubChem:CID138106631
 Local ready
Direct docking supported
E3L013784
BDB013784
 US9603889, Example 27
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCc2ccccc2[C@H]1C(=O)N(Cc1ccc(C(=O)NC2C[C@@H](C(=O)NC3CCCc4ccccc43)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C2)cc1)[C@H](C)Cc1ccccc1F)C(C)(C)C
 C62H82FN9O7
1084.392000		 ZUAAEZJCFHSIOK-WCHMCIFBSA-N P98170, Q13489, Q13490 Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP
BindingDB, PubChem
BindingDB:BDBM312116; PubChem:CID138106632
 Local ready
Direct docking supported
E3L013785
BDB013785
 US9603889, Example 28
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(NC(=O)c2ccc(CN(C(=O)[C@@H]3Cc4ccccc4CN3C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(C)c3ccccc3C)cc2)C[C@H]1C(=O)NC1CCCc2ccccc21)C(C)(C)C
 C62H83N9O7
1066.402000		 LMFQEYJRLPLECC-SAHLMDJCSA-N P98170, Q13489, Q13490 E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3
BindingDB, PubChem
BindingDB:BDBM312117; PubChem:CID138106633
 Local ready
Direct docking supported
E3L013786
BDB013786
 US9603889, Example 29
CCOc1ccccc1[C@@H](C)N(Cc1ccc(C(=O)NC2C[C@@H](C(=O)NC3CCCc4ccccc43)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C2)cc1)C(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C
 C63H85N9O8
1096.428000		 BZYLXAPGOBAABU-WUBRCICJSA-N P98170, Q13489, Q13490 E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3
BindingDB, PubChem
BindingDB:BDBM312118; PubChem:CID138106634
 Local ready
Direct docking supported
E3L013787
BDB013787
 US9603889, Example 30
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2ccccc2C[C@H]1CN(C(=O)c1ccc(C(=O)N[C@H]2C[C@@H](C(=O)N[C@@H]3CCCc4ccccc43)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C2)cc1)[C@H](C)Cc1ccc2ccccc2c1)C(C)(C)C
 C66H85N9O7
1116.462000		 PVPQDLGMPIVRTP-KMKAQRCYSA-N P98170, Q13489, Q13490 Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP
BindingDB, PubChem
BindingDB:BDBM312119; PubChem:CID118330717
 Local ready
Direct docking supported
E3L013788
BDB013788
 US9603889, Example 31
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2ccccc2C[C@H]1CN(C(=O)c1ccc(C(=O)N[C@H]2C[C@@H](C(=O)N[C@@H]3CCCc4ccccc43)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C2)cc1)[C@H](C)c1ccc2ccccc2c1)C(C)(C)C
 C65H83N9O7
1102.435000		 QTSIMALYUDCMPK-KQRVCALPSA-N P98170, Q13489, Q13490 E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3
BindingDB, PubChem
BindingDB:BDBM312120; PubChem:CID118330676
 Local ready
Direct docking supported
E3L013789
BDB013789
 US9603889, Example 32
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2ccccc2C[C@H]1CN(CCc1ccc2ccccc2c1)C(=O)c1ccc(C(=O)N[C@H]2C[C@@H](C(=O)N[C@@H]3CCCc4ccccc43)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C2)cc1)C(C)(C)C
 C65H83N9O7
1102.435000		 HJRHYWAIFLGMJQ-SWODDILSSA-N P98170, Q13489, Q13490 E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3
BindingDB, PubChem
BindingDB:BDBM312121; PubChem:CID118330718
 Local ready
Direct docking supported
E3L013790
BDB013790
 US9603889, Example 33
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2ccccc2C[C@H]1CN(CCc1cccc2ccccc12)C(=O)c1ccc(C(=O)N[C@H]2C[C@@H](C(=O)N[C@@H]3CCCc4ccccc43)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C2)cc1)C(C)(C)C
 C65H83N9O7
1102.435000		 UXJVAMCICAERKY-XSURLAPZSA-N P98170, Q13489, Q13490 E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3
BindingDB, PubChem
BindingDB:BDBM312122; PubChem:CID118330689
 Local ready
Direct docking supported
E3L013791
BDB013791
 US9603889, Example 34
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2ccccc2C[C@H]1CN(Cc1cccc2ccccc12)C(=O)c1ccc(C(=O)N[C@H]2C[C@@H](C(=O)N[C@@H]3CCCc4ccccc43)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C2)cc1)C(C)(C)C
 C64H81N9O7
1088.408000		 CWUBQRWNMSQJRE-YDSNTJDVSA-N P98170, Q13489, Q13490 Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP
BindingDB, PubChem
BindingDB:BDBM312123; PubChem:CID118330855
 Local ready
Direct docking supported
E3L013792
BDB013792
 US9603889, Example 35
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2ccccc2C[C@H]1CN(Cc1cccc(C)c1C)C(=O)c1ccc(C(=O)Cc2ccc3c(c2)CN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)[C@H](C(=O)N[C@@H]2CCCc4ccccc42)C3)cc1)C(C)(C)C
 C68H86N8O7
1127.485000		 DPTZSNVXBNIDSZ-RBKKZXDISA-N P98170, Q13489, Q13490 Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP
BindingDB, PubChem
BindingDB:BDBM312124; PubChem:CID118330669
 Local ready
Direct docking supported
E3L013793
BDB013793
 US9603889, Example 36
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2ccccc2C[C@H]1CN(Cc1cccc(C)c1C)C(=O)c1ccc(C(=O)N[C@H]2C[C@@H](C(=O)N[C@@H]3CCCc4ccccc43)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C2)cc1)C(C)(C)C
 C62H83N9O7
1066.402000		 AECFEAWCZCFJCP-LSYVJHDCSA-N P98170, Q13489, Q13490 E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3
BindingDB, PubChem
BindingDB:BDBM312125; PubChem:CID118330705
 Local ready
Direct docking supported
E3L013794
BDB013794
 US9603889, Example 37
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2ccccc2C[C@H]1CN(C(=O)c1ccc(C(=O)N[C@H]2C[C@@H](C(=O)N[C@@H]3CCCc4ccccc43)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C2)cc1)[C@H](C)c1ccccc1F)C(C)(C)C
 C61H80FN9O7
1070.365000		 SVZWWJONRRRSQO-LHSYOQMASA-N P98170, Q13489, Q13490 E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3
BindingDB, PubChem
BindingDB:BDBM312126; PubChem:CID118330708
 Local ready
Direct docking supported
E3L013795
BDB013795
 US9603889, Example 38
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2ccccc2CC1C(=O)N(CC1(C(=O)NC2C[C@@H](C(=O)NC3CCCc4ccccc43)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C2)CC1)[C@@H](COC)c1ccccc1)C(C)(C)C
 C59H83N9O8
1046.368000		 PIHSUMCMZMLTFD-SJEOLFCRSA-N P98170, Q13489, Q13490 E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3
BindingDB, PubChem
BindingDB:BDBM312127; PubChem:CID138106635
 Local ready
Direct docking supported
E3L013796
BDB013796
 US9603889, Example 39
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(NC(=O)c2cccc(CN(C(=O)[C@@H]3Cc4ccccc4CN3C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)[C@@H](COC)c3ccccc3)c2)C[C@H]1C(=O)NC1CCCc2ccccc21)C(C)(C)C
 C62H83N9O8
1082.401000		 CVLUVKNSLZDXBF-HSBWPWBRSA-N P98170, Q13489, Q13490 E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3
BindingDB, PubChem
BindingDB:BDBM312128; PubChem:CID138106636
 Local ready
Direct docking supported
E3L013797
BDB013797
 US9603889, Example 40
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(NC(=O)CN(C(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)[C@@H](COC)c2ccccc2)C[C@H]1C(=O)NC1CCCc2ccccc21)C(C)(C)C
 C56H79N9O8
1006.303000		 ANVSTNUPBVSCPB-NUGPNQOBSA-N P98170, Q13489, Q13490 Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP
BindingDB, PubChem
BindingDB:BDBM312129; PubChem:CID138106637
 Local ready
Direct docking supported
E3L013798
BDB013798
 US9603889, Example 41
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(NC(=O)CCCN(C(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)[C@H](C)c2ccccc2F)C[C@H]1C(=O)NC1CCCc2ccccc21)C(C)(C)C
 C57H80FN9O7
1022.321000		 WXMJSBVKFBYMQY-GTMMZRPLSA-N P98170, Q13489, Q13490 E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3
BindingDB, PubChem
BindingDB:BDBM312130; PubChem:CID138106638
 Local ready
Direct docking supported
E3L013799
BDB013799
 US9603889, Example 42
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(NC(=O)C2CC2CN(C(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)[C@H](C)c2ccccc2F)C[C@H]1C(=O)NC1CCCc2ccccc21)C(C)(C)C
 C58H80FN9O7
1034.332000		 GBSDPUWDHRVCLO-UZWRGSAHSA-N P98170, Q13489, Q13490 E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3
BindingDB, PubChem
BindingDB:BDBM312131; PubChem:CID138106639
 Local ready
Direct docking supported
E3L013800
BDB013800
 US9603889, Example 43
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(NC(=O)C2(CN(C(=O)[C@@H]3Cc4ccccc4CN3C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)[C@H](C)c3cccc(F)c3F)CC2)C[C@H]1C(=O)NC1CCCc2ccccc21)C(C)(C)C
 C58H79F2N9O7
1052.322000		 GJURNFNFVYYRMJ-WQFGBWTFSA-N P98170, Q13489, Q13490 E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3
BindingDB, PubChem
BindingDB:BDBM312132; PubChem:CID138106640
 Local ready
Direct docking supported