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
E3L045421
BDB045421
 BDBM50077704
O=S(=O)(O)OC[C@@H]1CNC[C@H](OCc2ccc3ccccc3c2)[C@H]1c1ccc(OCCCOCc2ccccc2)cc1
 C33H37NO7S
591.726000		 QYVAQRSPTAZPMU-RGRQWMLTSA-N P00797 Renin
BindingDB, PubChem
BindingDB:BDBM50077704; PubChem:CID44279658
 Local ready
Direct docking supported
E3L045422
BDB045422
 BDBM50077705
O[C@@H]1CNC[C@H](OCc2ccc3ccccc3c2)[C@H]1c1ccc(OCCCOCc2ccccc2)cc1
 C32H35NO4
497.635000		 WQXFNPSHIWXABP-RTOKGZNSSA-N P00797 Renin
BindingDB, PubChem
BindingDB:BDBM50077705; PubChem:CID44279283
 Local ready
Direct docking supported
E3L045423
BDB045423
 BDBM50077706
c1ccc(COCCCOc2ccc([C@H]3CCNC[C@@H]3OCc3ccc4cccnc4c3)cc2)cc1
 C31H34N2O3
482.624000		 SNGHUEZYHHPFDQ-VEEOACQBSA-N P00797 Renin
BindingDB, PubChem
BindingDB:BDBM50077706; PubChem:CID44279318
 Local ready
Direct docking supported
E3L045424
BDB045424
 BDBM50077707
O[C@H]1CNC[C@H](OCc2ccc3ccccc3c2)[C@H]1c1ccc(OCCCOCc2ccccc2)cc1
 C32H35NO4
497.635000		 WQXFNPSHIWXABP-CPCREDONSA-N P00797 Renin
BindingDB, PubChem
BindingDB:BDBM50077707; PubChem:CID44279250
 Local ready
Direct docking supported
E3L045425
BDB045425
 BDBM50077708
c1ccc(COCCCOc2ccc([C@H]3CCNC[C@@H]3OCc3ccc4cc(OCCN5CCOCC5)ccc4c3)cc2)cc1
 C38H46N2O5
610.795000		 NFGSWDKOHGAPRT-AMAPPZPBSA-N P00797 Renin
BindingDB, PubChem
BindingDB:BDBM50077708; PubChem:CID44278994
 Local ready
Direct docking supported
E3L045426
BDB045426
 BDBM50077709
c1ccc(COCCCOc2ccc([C@H]3[C@H](COCCN4CCOCC4)CNC[C@@H]3OCc3ccc4ccccc4c3)cc2)cc1
 C39H48N2O5
624.822000		 BGAWAKUWOBKLJF-MINDXDAISA-N P00797 Renin
BindingDB, PubChem
BindingDB:BDBM50077709; PubChem:CID44279264
 Local ready
Direct docking supported
E3L045427
BDB045427
 BDBM50078354
CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)OCc1cn(nn1)[C@H]1C[C@@H](C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@H](C(=O)O)Cc3ccc(cc3)OCc3cn2nn3)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C2CCCCC2)C1)C1CCCCC1
 C84H100N16O14
1557.822000		 HZGOIKMHTUCXAI-KWEJKZBISA-N Q13489, Q13490 Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 2
BindingDB
BindingDB:BDBM50078354
 Local ready
Direct docking supported
E3L045428
BDB045428
 BDBM50078355
CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)OCc1cn(nn1)[C@H]1C[C@@H](C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@H](C(=O)O)Cc3ccc(cc3)OCc3cn2nn3)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)C)C1)C(C)C
 C78H92N16O14
1477.692000		 JSGZGDDJOKLCEY-PFFMIVSTSA-N Q13489, Q13490 Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 2
BindingDB
BindingDB:BDBM50078355
 Local ready
Direct docking supported
E3L045429
BDB045429
 BDBM50078356
CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@@H](Cc1cccc3ccccc13)C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)OCc1cn(nn1)[C@H]1C[C@@H](C(=O)N[C@@H](Cc3cccc4ccccc34)C(=O)N[C@H](C(=O)O)Cc3ccc(cc3)OCc3cn2nn3)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)C)C1)C(C)C
 C78H92N16O14
1477.692000		 BUUIRUGUZNCDSQ-KCUAZDICSA-N Q13489, Q13490 Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 3
BindingDB
BindingDB:BDBM50078356
 Local ready
Direct docking supported
E3L045430
BDB045430
 BDBM50078357
CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)OCc1cn(nn1)[C@H]1C[C@@H](C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](C(=O)O)Cc3ccc(cc3)OCc3cn2nn3)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)C)C1)C(C)C
 C70H88N16O14
1377.572000		 VLPFNQKFYWKXGS-JCDMWVPISA-N Q13489, Q13490 Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 2
BindingDB
BindingDB:BDBM50078357
 Local ready
Direct docking supported
E3L045431
BDB045431
 BDBM50078358
CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)NC(=O)CCc1cn(nn1)[C@H]1C[C@@H](C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](C(=O)O)Cc3ccc(cc3)NC(=O)CCc3cn2nn3)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)C)C1)C(C)C
 C74H94N18O14
1459.678000		 LKZUGDULMRPQJR-PZOHCTHGSA-N Q13489, Q13490 Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 2
BindingDB
BindingDB:BDBM50078358
 Local ready
Direct docking supported
E3L045432
BDB045432
 BDBM50078359
CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@H](C(=O)O)Cc1cn(nn1)[C@H]1C[C@@H](C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@H](C(=O)O)Cc3cn2nn3)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)C)C1)C(C)C
 C64H80N16O12
1265.444000		 BCYVAJKIAWNFPS-WBVBMDTLSA-N Q13489, Q13490 Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 3
BindingDB
BindingDB:BDBM50078359
 Local ready
Direct docking supported
E3L045433
BDB045433
 BDBM50078360
CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)OCc1cn(nn1)[C@H]1C[C@@H](C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@H](C(=O)O)Cc3ccc(cc3)OCc3cn2nn3)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C1)C(C)(C)C
 C80H96N16O14
1505.746000		 RPYLESOPIPCLOC-IJLYYPGQSA-N Q13489, Q13490 Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 2
BindingDB
BindingDB:BDBM50078360
 Local ready
Direct docking supported
E3L045434
BDB045434
 BDBM50078361
C#CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(OCCN=[N+]=[N-])cc1)C(=O)O
 C34H42N8O7
674.759000		 AITUWMHJRLZLLP-WQJHFXEDSA-N Q13489 Baculoviral IAP repeat-containing protein 3
BindingDB
BindingDB:BDBM50078361
 Local ready
Direct docking supported
E3L045435
BDB045435
 BDBM50078362
CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)NC(=O)CCc1cn2nn1)C(C)C
 C37H47N9O7
729.839000		 NYEKMUKTEVUDDH-PDKMNWOWSA-N Q13489, Q13490 Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 2
BindingDB
BindingDB:BDBM50078362
 Local ready
Direct docking supported
E3L045436
BDB045436
 BDBM50078363
CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(=O)O)Cc1ccc(cc1)NC(=O)CCc1cn2nn1)C(C)C
 C37H47N9O7
729.839000		 NYEKMUKTEVUDDH-QFLASJJUSA-N Q13489 Baculoviral IAP repeat-containing protein 3
BindingDB
BindingDB:BDBM50078363
 Local ready
Direct docking supported
E3L045437
BDB045437
 BDBM50078364
CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)OCc1cn2nn1)C(C)C
 C35H44N8O7
688.786000		 KYRYMPQYDXQCLJ-JCHFQAAWSA-N Q13489, Q13490 Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 2
BindingDB
BindingDB:BDBM50078364
 Local ready
Direct docking supported
E3L045438
BDB045438
 BDBM50078365
CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)OCc1cn2nn1)C1CCCCC1
 C42H50N8O7
778.911000		 NUSGTOGZUYGSQN-VEIWGLSFSA-N Q13489 Baculoviral IAP repeat-containing protein 3
BindingDB
BindingDB:BDBM50078365
 Local ready
Direct docking supported
E3L045439
BDB045439
 BDBM50078366
CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)OCc1cn2nn1)C(C)(C)C
 C40H48N8O7
752.873000		 HKGORXHRSOVEDA-UXFYTWOCSA-N Q13489 Baculoviral IAP repeat-containing protein 3
BindingDB
BindingDB:BDBM50078366
 Local ready
Direct docking supported
E3L045440
BDB045440
 BDBM50078367
CN[C@@H](C)C(=O)N[C@H]1Cc2cn(nn2)CCOc2ccc(cc2)C[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O
 C34H42N8O7
674.759000		 LZOJQQWVRUTULN-VRTFYRIBSA-N Q13489 Baculoviral IAP repeat-containing protein 3
BindingDB
BindingDB:BDBM50078367
 Local ready
Direct docking supported