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
E3L015301
BDB015301
 US9783573, Example 31
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(NCc3ccc(C(=O)NC4C[C@@H](C(=O)NC5CCCc6ccccc65)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C4)cc3)ccc2C[C@H]1C(=O)NC1CCCc2ccccc21)C(C)(C)C
 C63H84N10O7
1093.428000		 FQDRXYPGOKPIKX-GKSNKUOISA-N P98170, Q13489, Q13490 E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3
BindingDB, PubChem
BindingDB:BDBM345181; PubChem:CID138961785
 Local ready
Direct docking supported
E3L015302
BDB015302
 US9783573, Example 32
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(N(Cc3ccc(C(=O)NC4C[C@@H](C(=O)NC5CCCc6ccccc65)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C4)cc3)C(C)=O)ccc2C[C@H]1C(=O)NC1CCCc2ccccc21)C(C)(C)C
 C65H86N10O8
1135.465000		 SUSFWURNJMTUGZ-LOKLLDKISA-N P98170, Q13489, Q13490 Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP
BindingDB, PubChem
BindingDB:BDBM345182; PubChem:CID138961786
 Local ready
Direct docking supported
E3L015303
BDB015303
 US9783573, Example 33
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(NCc3ccc(C(=O)NC4C[C@@H](C(=O)NC5CCCc6ccccc65)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C4)cc3Cl)ccc2C[C@H]1C(=O)NC1CCCc2ccccc21)C(C)(C)C
 C63H83ClN10O7
1127.873000		 XQSIBUBOFPOXKS-MKUNCAPJSA-N P98170, Q13489, Q13490 Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP
BindingDB, PubChem
BindingDB:BDBM345183; PubChem:CID138961787
 Local ready
Direct docking supported
E3L015304
BDB015304
 US9783573, Example 34
CCN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(NC(=O)c3ccc(C(=O)NC4CC(C(=O)NC5CCCc6ccccc65)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C4)cc3)ccc2CC1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C
 C64H84N10O8
1121.438000		 FIHIJMZKMXZYNS-GEDFJSBOSA-N P98170, Q13489, Q13490 E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3
BindingDB, PubChem
BindingDB:BDBM345184; PubChem:CID138961788
 Local ready
Direct docking supported
E3L015305
BDB015305
 US9783573, Example 35
CCN[C@H](C(=O)N[C@H](C(=O)N1Cc2cc(NC(=O)c3ccc(C(=O)NC4CC(C(=O)NC5CCCc6ccccc65)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C4)cc3)ccc2CC1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C)C(C)C
 C66H88N10O8
1149.492000		 YNRMEYBKGZVJQF-PPQBKDOFSA-N P98170, Q13489, Q13490 Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP
BindingDB, PubChem
BindingDB:BDBM345185; PubChem:CID138961789
 Local ready
Direct docking supported
E3L015306
BDB015306
 US9783573, Example 36
CCN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(NC(=O)c3ccc(C(=O)NC4CC(C(=O)NC5CCCc6ccccc65)N(C(=O)[C@@H](NC(=O)[C@@H](NC)C(C)C)C(C)(C)C)C4)cc3)ccc2CC1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C
 C66H88N10O8
1149.492000		 JWXXLHIYUTWEMB-PPQBKDOFSA-N P98170, Q13489, Q13490 Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP
BindingDB, PubChem
BindingDB:BDBM345186; PubChem:CID138961790
 Local ready
Direct docking supported
E3L015307
BDB015307
 US9783573, Example 37
CN[C@@H](C)C(=O)N[C@H](C(=O)[C@@H]1CC(NC(=O)[C@@H](CCC(F)(F)F)[C@@H](CCC(F)(F)F)C(=O)Nc2ccc3c(c2)CN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)[C@H](C(=O)NC2CCCc4ccccc42)C3)CN1C(=O)NC1CCCc2ccccc21)C(C)(C)C
 C65H88F6N10O8
1251.469000		 QBLMRKIWHODMAB-FRNOIQALSA-N P98170, Q13489, Q13490 E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3
BindingDB, PubChem
BindingDB:BDBM345187; PubChem:CID138961791
 Local ready
Direct docking supported
E3L015308
BDB015308
 US9783573, Example 39
CCN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(OCc3ccc(C(=O)NC4C[C@@H](C(=O)NC5CCCc6ccccc65)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C4)cc3)ccc2C[C@H]1C(=O)NC1CCCc2ccccc21)C(C)(C)C
 C64H85N9O8
1108.439000		 VPAMYSJLSKIUHI-HLFGYZPVSA-N P98170, Q13489, Q13490 Baculoviral IAP repeat-containing protein 3
BindingDB, PubChem
BindingDB:BDBM345189; PubChem:CID138961792
 Local ready
Direct docking supported
E3L015309
BDB015309
 US9783573, Example 40
CCN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1Cc2cc(OCc3ccc(C(=O)NC4CC(C(=O)NC5CCCc6ccccc65)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C4)cc3)ccc2CC1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C)C(C)(C)C
 C70H96N10O9
1221.599000		 KMBWECOKLHQPRE-TUPBNSROSA-N P98170, Q13489, Q13490 E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3
BindingDB, PubChem
BindingDB:BDBM345190; PubChem:CID138961793
 Local ready
Direct docking supported
E3L015310
BDB015310
 US9783573, Example 41
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2ccc(OCc3ccc(C(=O)N[C@H]4C[C@@H](C(=O)NC5CCCc6ccccc65)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C4)cc3)cc2C[C@H]1C(=O)NC1CCCc2ccccc21)C(C)(C)C
 C63H83N9O8
1094.412000		 MHUDJHSFECRQLB-RHNBJTJLSA-N P98170, Q13489, Q13490 Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP
BindingDB, PubChem
BindingDB:BDBM345191; PubChem:CID138961794
 Local ready
Direct docking supported
E3L015311
BDB015311
 US9783573, Example 42
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2ccc(OCc3ccc(C(=O)N[C@H]4C[C@@H](C(=O)NC5CCCc6ccccc65)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C4)cc3)cc2C[C@@H]1C(=O)NC1CCCc2ccccc21)C(C)(C)C
 C63H83N9O8
1094.412000		 MHUDJHSFECRQLB-CUTNUHKBSA-N P98170, Q13489, Q13490 Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP
BindingDB, PubChem
BindingDB:BDBM345192; PubChem:CID138961795
 Local ready
Direct docking supported
E3L015312
BDB015312
 US9783573, Example 43
CC[C@H](NC)C(=O)N[C@H](C(=O)N1Cc2cc(OCc3ccc(C(=O)N[C@H]4C[C@@H](C(=O)N[C@@H]5CCCc6ccccc65)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C4)cc3)ccc2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C
 C64H85N9O8
1108.439000		 YLQHRUUGXBXOPC-NBHXLWSESA-N P98170, Q13489, Q13490 E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3
BindingDB, PubChem
BindingDB:BDBM345193; PubChem:CID118497987
 Local ready
Direct docking supported
E3L015313
BDB015313
 US9783573, Example 46
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(OC(=O)c3ccc(C(=O)N[C@H]4C[C@@H](C(=O)N[C@@H]5CCCc6ccccc65)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C4)cc3)ccc2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C
 C63H81N9O9
1108.395000		 VCQYNJLUQOHBQN-RKYLDKKZSA-N P98170, Q13489, Q13490 Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP
BindingDB, PubChem
BindingDB:BDBM345196; PubChem:CID118497931
 Local ready
Direct docking supported
E3L015314
BDB015314
 US9783573, Example 47
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(NC(=O)c3ccc(CO[C@H]4C[C@@H](C(=O)N[C@@H]5CCCc6ccccc65)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C4)cc3)ccc2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C
 C63H83N9O8
1094.412000		 GBSJCHIETXINLY-AZDADDNRSA-N P98170, Q13489, Q13490 E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3
BindingDB, PubChem
BindingDB:BDBM345197; PubChem:CID90089585
 Local ready
Direct docking supported
E3L015315
BDB015315
 US9783573, Example 48
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(OC(=O)c3ccc(CO[C@H]4C[C@@H](C(=O)N[C@@H]5CCCc6ccccc65)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C4)cc3)ccc2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C
 C63H82N8O9
1095.396000		 AHHUNRGEEKTKTO-AZDADDNRSA-N P98170, Q13489, Q13490 Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP
BindingDB, PubChem
BindingDB:BDBM345198; PubChem:CID90089605
 Local ready
Direct docking supported
E3L015316
BDB015316
 US9783573, Example 49
CN[C@@H](C)C(=O)NC(C(=O)N1Cc2cc(NC(=O)c3ccc4c(ccn4C(=O)NC4C[C@@H](C(=O)NC5CCCc6ccccc65)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C4)c3)ccc2C[C@H]1C(=O)NC1CCCc2ccccc21)C(C)(C)C
 C65H83N11O8
1146.448000		 VBRZVKNEYITVSY-IKKLWSPUSA-N P98170, Q13489, Q13490 Baculoviral IAP repeat-containing protein 3
BindingDB, PubChem
BindingDB:BDBM345199; PubChem:CID118507548
 Local ready
Direct docking supported
E3L015317
BDB015317
 US9783573, Example 50
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(NC(=O)c3ccc(CO[C@H]4C[C@@H](C(=O)N[C@@H]5CCCc6ccccc65)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C4)cc3)ccc2C[C@H]1C(=O)N[C@H](C)c1ccccc1F)C(C)(C)C
 C61H80FN9O8
1086.364000		 VUUPAYFAZGRMOV-REEQQHIYSA-N P98170, Q13489, Q13490 E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3
BindingDB, PubChem
BindingDB:BDBM345200; PubChem:CID118497924
 Local ready
Direct docking supported
E3L015318
BDB015318
 US9783573, Example 51
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(NC(=O)c3cccc4c3ccn4C(=O)N[C@H]3C[C@@H](C(=O)N[C@@H]4CCCc5ccccc54)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C3)ccc2C[C@H]1C(=O)N[C@H](C)c1ccccc1F)C(C)(C)C
 C63H80FN11O8
1138.400000		 UPEVLUWKTPBURK-JPIKSAQKSA-N P98170, Q13489, Q13490 Baculoviral IAP repeat-containing protein 3
BindingDB, PubChem
BindingDB:BDBM345201; PubChem:CID118507521
 Local ready
Direct docking supported
E3L015319
BDB015319
 US9783573, Example 52
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(NC(=O)c3cccc(CO[C@H]4C[C@@H](C(=O)N[C@@H]5CCCc6ccccc65)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C4)c3)ccc2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C
 C63H83N9O8
1094.412000		 DPHNGGGFYKHOKV-AZDADDNRSA-N P98170, Q13489, Q13490 E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3
BindingDB, PubChem
BindingDB:BDBM345202; PubChem:CID118497912
 Local ready
Direct docking supported
E3L015320
BDB015320
 US9783573, Example 53
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(NC(=O)c3ccc4ccn(C(=O)NC5C[C@@H](C(=O)NC6CCCc7ccccc76)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C5)c4c3)ccc2C[C@H]1C(=O)NC1CCCc2ccccc21)C(C)(C)C
 C65H83N11O8
1146.448000		 SAOLJERBTRGSIJ-OLLRURIWSA-N P98170, Q13489, Q13490 Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP
BindingDB, PubChem
BindingDB:BDBM345203; PubChem:CID118497948
 Local ready
Direct docking supported