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
E3L053241
BDB053241
 BDBM50343512
CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@@H](C(=O)N[C@@H](c3ccccc3)c3cn(CCCCCCCCc4ccc(CCCCCCCCn5cc([C@@H](NC(=O)[C@@H]6CC[C@@H]7CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N76)c6ccccc6)nn5)cc4)nn3)N2C1=O
 C70H100N14O6
1233.662000		 FWTZPMKUVKJWFQ-UCZYUNLQSA-N P98170, Q13489, Q13490 Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3
BindingDB
BindingDB:BDBM50343512
 Local ready
Direct docking supported
E3L053242
BDB053242
 BDBM50343513
CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@@H](C(=O)N[C@@H](c3ccccc3)c3cn(CCCCc4ccc(CCCCn5cc([C@@H](NC(=O)[C@@H]6CC[C@@H]7CCCC[C@H](NC(=O)[C@H](Cc8c[nH]c9ccccc89)NC(C)=O)C(=O)N76)c6ccccc6)nn5)cc4)nn3)N2C1=O
 C71H89N15O7
1264.591000		 YZPQFHNIWBNBGH-AOOMQFHUSA-N P98170, Q13489, Q13490 Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP
BindingDB
BindingDB:BDBM50343513
 Local ready
Direct docking supported
E3L053243
BDB053243
 BDBM50343514
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCC[C@H]2CC[C@@H](C(=O)N[C@@H](c3ccccc3)c3cn(CCCCc4ccc(CCCCn5cc([C@@H](NC(=O)[C@@H]6CC[C@@H]7CCCC[C@H](NC(=O)[C@H](Cc8c[nH]c9ccccc89)NC(C)=O)C(=O)N76)c6ccccc6)nn5)cc4)nn3)N2C1=O
 C80H94N16O8
1407.736000		 KCRWCGKTNLNFIB-VUHFQLKMSA-N P98170, Q13489, Q13490 E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 3
BindingDB
BindingDB:BDBM50343514
 Local ready
Direct docking supported
E3L053244
BDB053244
 BDBM50343515
CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@@H](C(=O)N[C@@H](c3ccccc3)c3cn(CCCCc4cn(CCCCn5cc([C@@H](NC(=O)[C@@H]6CC[C@@H]7CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N76)c6ccccc6)nn5)nn4)nn3)N2C1=O
 C58H81N17O6
1112.399000		 CTHPQEVPVOQSRC-KKNCLYKJSA-N P98170, Q13489, Q13490 Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3
BindingDB
BindingDB:BDBM50343515
 Local ready
Direct docking supported
E3L053245
BDB053245
 BDBM50343516
CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@@H](C(=O)N[C@@H](c3ccccc3)c3cn(CCCCNC(=O)NCCCCn4cc([C@@H](NC(=O)[C@@H]5CC[C@@H]6CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N65)c5ccccc5)nn4)nn3)N2C1=O
 C57H82N16O7
1103.388000		 NXJPENWNOWIEAB-QHNAYFJPSA-N P98170, Q13489, Q13490 Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP
BindingDB
BindingDB:BDBM50343516
 Local ready
Direct docking supported
E3L053246
BDB053246
 BDBM50343517
CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@@H](C(=O)N[C@@H](c3ccccc3)c3cn(CCCCCOCCCCCn4cc([C@@H](NC(=O)[C@@H]5CC[C@@H]6CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N65)c5ccccc5)nn4)nn3)N2C1=O
 C58H84N14O7
1089.401000		 NVBKPFYWVXAYJB-RJLOISGXSA-N P98170, Q13489, Q13490 E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 3
BindingDB
BindingDB:BDBM50343517
 Local ready
Direct docking supported
E3L053247
BDB053247
 BDBM50343518
CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@@H](C(=O)N[C@@H](c3ccccc3)c3cn(CCc4ccc(CCn5cc([C@@H](NC(=O)[C@@H]6CC[C@@H]7CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N76)c6ccccc6)nn5)cc4)nn3)N2C1=O
 C58H76N14O6
1065.338000		 PTJLGMSXZVHPLT-YOWKDGLNSA-N P98170, Q13489, Q13490 E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 3
BindingDB
BindingDB:BDBM50343518
 Local ready
Direct docking supported
E3L053248
BDB053248
 BDBM50343519
CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@@H](C(=O)N[C@@H](c3ccccc3)c3cn(CCCCCCc4ccc(CCCCCCn5cc([C@@H](NC(=O)[C@@H]6CC[C@@H]7CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N76)c6ccccc6)nn5)cc4)nn3)N2C1=O
 C66H92N14O6
1177.554000		 XUJBBGGQDAEVAD-OUTAGPEDSA-N P98170, Q13489, Q13490 Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3
BindingDB
BindingDB:BDBM50343519
 Local ready
Direct docking supported
E3L053249
BDB053249
 BDBM50343520
CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@@H](C(=O)N[C@@H](c3ccccc3)c3cn(CCOCCCCOCCn4cc([C@@H](NC(=O)[C@@H]5CC[C@@H]6CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N65)c5ccccc5)nn4)nn3)N2C1=O
 C56H80N14O8
1077.346000		 KJURVCWIPOWOLI-QHNAYFJPSA-N P98170, Q13489, Q13490 Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3
BindingDB
BindingDB:BDBM50343520
 Local ready
Direct docking supported
E3L053250
BDB053250
 BDBM50343521
CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@@H](C(=O)N[C@@H](c3ccccc3)c3cn(CCCc4ccc(CCCn5cc([C@@H](NC(=O)[C@@H]6CC[C@@H]7CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N76)c6ccccc6)nn5)cc4)nn3)N2C1=O
 C60H80N14O6
1093.392000		 VMPRMTGUXGJSDU-NYNABKOLSA-N P98170, Q13489, Q13490 Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3
BindingDB
BindingDB:BDBM50343521
 Local ready
Direct docking supported
E3L053251
BDB053251
 SM-164
CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@@H](C(=O)N[C@@H](c3ccccc3)c3cn(CCCCc4ccc(CCCCn5cc([C@@H](NC(=O)[C@@H]6CC[C@@H]7CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N76)c6ccccc6)nn5)cc4)nn3)N2C1=O
 C62H84N14O6
1121.446000		 LGYDZXNSSLRFJS-IOQQVAQYSA-N P98170, Q13489, Q13490 Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2
BindingDB, PubChem
BindingDB:BDBM50343522; PubChem:CID17756618
 Local ready
Direct docking supported
E3L053252
BDB053252
 BDBM50343523
CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@@H](C(=O)N[C@@H](c3ccccc3)c3cn(CCCCCCCCCCn4cc([C@@H](NC(=O)[C@@H]5CC[C@@H]6CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N65)c5ccccc5)nn4)nn3)N2C1=O
 C58H84N14O6
1073.402000		 AVAOWCBMADPQBJ-RJLOISGXSA-N P98170, Q13489, Q13490 E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 3
BindingDB
BindingDB:BDBM50343523
 Local ready
Direct docking supported
E3L053253
BDB053253
 BDBM50343524
CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@@H](C(=O)N[C@@H](c3ccccc3)c3cn(CCCCCCCCCCCCn4cc([C@@H](NC(=O)[C@@H]5CC[C@@H]6CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N65)c5ccccc5)nn4)nn3)N2C1=O
 C60H88N14O6
1101.456000		 WPLLBQSMIJWPPJ-LGDBJAKBSA-N P98170, Q13489, Q13490 E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 3
BindingDB
BindingDB:BDBM50343524
 Local ready
Direct docking supported
E3L053254
BDB053254
 BDBM50343530
COc1ccc(Sc2cccc(CN(C)c3cc(C(=O)O)nc4cc(Cl)cc(Cl)c34)c2)cc1
 C25H20Cl2N2O3S
499.419000		 FUUIYLWURGZBJB-UHFFFAOYSA-N P29375 Lysine-specific demethylase 5A
BindingDB, PubChem
BindingDB:BDBM50343530; PubChem:CID1032885
 Local ready
Direct docking supported
E3L053255
BDB053255
 Onvansertib
CN1CCN(c2ccc(OC(F)(F)F)c(Nc3ncc4c(n3)-c3c(c(C(N)=O)nn3CCO)CC4)c2)CC1
 C24H27F3N8O3
532.527000		 QHLVBNKYJGBCQJ-UHFFFAOYSA-N O14965 Aurora kinase A
BindingDB, PubChem
BindingDB:BDBM50343559; PubChem:CID49792852
 Local ready
Direct docking supported
E3L053256
BDB053256
 BDBM50343936
Cc1cc(Nc2cc(-c3ccccc3)c(C#N)c(Sc3ccc(NC(=O)C(C)C)cc3)n2)[nH]n1
 C26H24N6OS
468.586000		 OAWUTXXHDFGWCY-UHFFFAOYSA-N O14965 Aurora kinase A
BindingDB, PubChem
BindingDB:BDBM50343936; PubChem:CID54581705
 Local ready
Direct docking supported
E3L053257
BDB053257
 BDBM50343937
CC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(C)c2C#N)cc1
 C19H18N6OS
378.461000		 HGMSKESQUCLBIT-UHFFFAOYSA-N O14965 Aurora kinase A
BindingDB, PubChem
BindingDB:BDBM50343937; PubChem:CID54585578
 Local ready
Direct docking supported
E3L053258
BDB053258
 BDBM50343938
Cc1cc(Nc2cc(C)c(C#N)c(NC(C)CCCC(C)(C)O)n2)[nH]n1
 C19H28N6O
356.474000		 XHHRGYCOEVNAKV-UHFFFAOYSA-N O14965 Aurora kinase A
BindingDB, PubChem
BindingDB:BDBM50343938; PubChem:CID46911726
 Local ready
Direct docking supported
E3L053259
BDB053259
 BDBM50343939
Cc1cc(Nc2cc(C)c(C#N)c(N[C@@H](C)CCCC(C)(C)O)n2)[nH]n1
 C19H28N6O
356.474000		 XHHRGYCOEVNAKV-ZDUSSCGKSA-N O14965 Aurora kinase A
BindingDB, PubChem
BindingDB:BDBM50343939; PubChem:CID24783396
 Local ready
Direct docking supported
E3L053260
BDB053260
 BDBM50343940
Cc1cc(Nc2cc(C)c(C#N)c(N[C@H](C)CCCC(C)(C)O)n2)[nH]n1
 C19H28N6O
356.474000		 XHHRGYCOEVNAKV-CYBMUJFWSA-N O14965 Aurora kinase A
BindingDB, PubChem
BindingDB:BDBM50343940; PubChem:CID54585645
 Local ready
Direct docking supported