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
E3L013801
BDB013801
 BDBM312293
CNS(=O)(=O)Nc1nccc(Cc2cc(C(=O)NC3CC3)c(Nc3ccc(I)cc3F)c(F)c2F)c1F
 C23H20F4IN5O3S
649.408000		 CEANXZMNDMARKN-UHFFFAOYSA-N Q13233 Mitogen-activated protein kinase kinase kinase 1
BindingDB, PubChem
BindingDB:BDBM312293; PubChem:CID156808822
 Local ready
Direct docking supported
E3L013802
BDB013802
 2-(3-butyl-1H-pyrazol-1-yl)pyridine-4-carboxylic acid
CCCCc1ccn(-c2cc(C(=O)O)ccn2)n1
 C13H15N3O2
245.282000		 NRGSAZMZQWJSRB-UHFFFAOYSA-N P29375 Lysine-specific demethylase 5A
BindingDB, PubChem
BindingDB:BDBM312294; PubChem:CID90211018
 Local ready
Direct docking supported
E3L013803
BDB013803
 BDBM312329
Cc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)cc1F
 C17H14FN3O3
327.315000		 WPESTWIANQBENM-UHFFFAOYSA-N P29375 Lysine-specific demethylase 5A
BindingDB, PubChem
BindingDB:BDBM312329; PubChem:CID86725572
 Local ready
Direct docking supported
E3L013804
BDB013804
 BDBM312339
NS(=O)(=O)Nc1nccc(Cc2cc(C(=O)NC3CC3)c(Nc3ccc(I)cc3F)c(F)c2F)c1F
 C22H18F4IN5O3S
635.381000		 NWKVBUTWVCHMAL-UHFFFAOYSA-N Q13233 Mitogen-activated protein kinase kinase kinase 1
BindingDB, PubChem
BindingDB:BDBM312339; PubChem:CID156808967
 Local ready
Direct docking supported
E3L013805
BDB013805
 US9605022, Example 1
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)OCc1cn(nn1)[C@@H]1CCN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)[C@@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)OCc1cn2nn1)C(C)(C)C
 C80H96N16O14
1505.746000		 MBKNBOLIPVRUSC-YZMHPAFASA-N P98170, Q13489, Q13490 E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3
BindingDB, PubChem
BindingDB:BDBM312966; PubChem:CID90155550
 Local ready
Direct docking supported
E3L013806
BDB013806
 US9605022, Example 2
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2OCc3cn(nn3)CC[C@H](C(=O)O)NC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@@H]3[C@@H](CCN3C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)OCc3cn(nn3)CC[C@H](C(=O)O)NC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@H]21)C(C)(C)C
 C70H92N16O14
1381.604000		 FZGZIFOUNRXAQH-SXFVIKMQSA-N P98170, Q13489, Q13490 E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3
BindingDB, PubChem
BindingDB:BDBM312967; PubChem:CID118428895
 Local ready
Direct docking supported
E3L013807
BDB013807
 XIAP BIR2/BIR2-3 inhibitor-1
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2OCc3cn(nn3)CCC[C@H](C(=O)O)NC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@@H]3[C@@H](CCN3C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)OCc3cn(nn3)CCC[C@H](C(=O)O)NC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@H]21)C(C)(C)C
 C72H96N16O14
1409.658000		 UZIAKDBFVNIMHM-AHKGGJCZSA-N P98170, Q13489, Q13490 Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP
BindingDB, PubChem
BindingDB:BDBM312968; PubChem:CID118429216
 Local ready
Direct docking supported
E3L013808
BDB013808
 US9605022, Example 4
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2OCc3cn(nn3)[C@H](C(=O)O)CCNC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@@H]3[C@@H](CCN3C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)OCc3cn(nn3)[C@H](C(=O)O)CCNC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@H]21)C(C)(C)C
 C70H92N16O14
1381.604000		 SLDGGQPUIMOVMN-LUYVCQRVSA-N P98170, Q13489, Q13490 E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3
BindingDB, PubChem
BindingDB:BDBM312969; PubChem:CID118429237
 Local ready
Direct docking supported
E3L013809
BDB013809
 US9605022, Example 5
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2OCc3cn(nn3)[C@H](C(=O)NS(C)(=O)=O)CCCNC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@@H]3[C@@H](CCN3C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)OCc3cn(nn3)[C@H](C(=O)NS(C)(=O)=O)CCCNC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@H]21)C(C)(C)C
 C74H102N18O16S2
1563.874000		 FJGQHCYSBKZATB-ZSHHDKMESA-N P98170, Q13489, Q13490 E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3
BindingDB, PubChem
BindingDB:BDBM312970; PubChem:CID118429221
 Local ready
Direct docking supported
E3L013810
BDB013810
 US9605022, Example 6
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@H](C(=O)NS(=O)(=O)C1CC1)Cc1ccc(cc1)OCc1cn(nn1)[C@@H]1CCN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)[C@@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@H](C(=O)OC)Cc1ccc(cc1)OCc1cn2nn1)C(C)(C)C
 C84H103N17O15S
1622.919000		 GUYDSOLIABCZFM-OEKHCWRBSA-N P98170, Q13489, Q13490 E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3
BindingDB, PubChem
BindingDB:BDBM312971; PubChem:CID118429189
 Local ready
Direct docking supported
E3L013811
BDB013811
 US9605022, Example 7
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)OCc1cn(nn1)[C@@H]1CCN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)[C@@H]1C(=O)C[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@H](C(=O)OC)Cc1ccc(cc1)OCc1cn2nn1)C(C)(C)C
 C81H98N14O13
1475.760000		 QTFUECSQPZFYEM-JQPLRMHWSA-N P98170, Q13489, Q13490 E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3
BindingDB, PubChem
BindingDB:BDBM312972; PubChem:CID138106677
 Local ready
Direct docking supported
E3L013812
BDB013812
 US9605022, Example 8
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)NC(=O)C[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@H](C(=O)NCc1cc(F)c(O)c(F)c1)Cc1ccc(cc1)OCc1cn(nn1)[C@@H]1CCN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)[C@@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)OCc1cn2nn1)C(C)(C)C
 C89H103F2N17O15
1688.903000		 NOVQMSAXBZDRHD-GRFCGMDYSA-N P98170, Q13489, Q13490 Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP
BindingDB, PubChem
BindingDB:BDBM312973; PubChem:CID138106678
 Local ready
Direct docking supported
E3L013813
BDB013813
 US9605022, Example 9
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)NC(=O)C[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@H](C(=O)NCc1cc(F)c(O)c(F)c1)Cc1ccc(cc1)OCc1cn(nn1)[C@@H]1CCN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)[C@@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@H](C(=O)OC)Cc1ccc(cc1)OCc1cn2nn1)C(C)(C)C
 C90H105F2N17O15
1702.930000		 BAODQHPEQZHMBP-ZLUOGFKFSA-N P98170, Q13489, Q13490 E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3
BindingDB, PubChem
BindingDB:BDBM312975; PubChem:CID138106679
 Local ready
Direct docking supported
E3L013814
BDB013814
 US9605022, Example 10
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)OCc1cn(nn1)[C@@H]1CCN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)[C@@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@H](C(=O)NS(=O)(=O)c1ccccn1)Cc1ccc(cc1)OCc1cn2nn1)C(C)(C)C
 C85H100N18O15S
1645.913000		 RHIZHSHCAUUNTD-MOPRESEOSA-N P98170, Q13489, Q13490 E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3
BindingDB, PubChem
BindingDB:BDBM312976; PubChem:CID118428898
 Local ready
Direct docking supported
E3L013815
BDB013815
 US9605022, Example 11
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)OCc1cn(nn1)[C@@H]1CCN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)[C@@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@H](C(=O)NS(=O)(=O)C1CC1)Cc1ccc(cc1)OCc1cn2nn1)C(C)(C)C
 C83H101N17O15S
1608.892000		 QTPJJORUJRBSTP-VVJSROEGSA-N P98170, Q13489, Q13490 E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3
BindingDB, PubChem
BindingDB:BDBM312977; PubChem:CID118429191
 Local ready
Direct docking supported
E3L013816
BDB013816
 US9605022, Example 12
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)OCc1cn(nn1)[C@@H]1CCN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)[C@@H]1C(=O)N[C@H](Cc1ccc3ccccc3c1)C(=O)N[C@H](C(=O)NS(=O)(=O)C1CC1)Cc1ccc(cc1)OCc1cn2nn1)C(C)(C)C
 C83H101N17O15S
1608.892000		 QTPJJORUJRBSTP-XCZJTPFPSA-N P98170, Q13489, Q13490 Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP
BindingDB, PubChem
BindingDB:BDBM312978; PubChem:CID118428897
 Local ready
Direct docking supported
E3L013817
BDB013817
 US9605022, Example 13
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)NC(=O)C[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@H](C(=O)NCC[C@@H](O)C[C@@H](O)CC(=O)O)Cc1ccc(cc1)OCc1cn(nn1)[C@@H]1CCN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)[C@@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)OCc1cn2nn1)C(C)(C)C
 C89H111N17O18
1706.968000		 BOHYEMVPKFXRSG-OPNQBICOSA-N P98170, Q13489, Q13490 Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP
BindingDB, PubChem
BindingDB:BDBM312979; PubChem:CID118428899
 Local ready
Direct docking supported
E3L013818
BDB013818
 US9605022, Example 14
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)NC(=O)C[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)OCc1cn(nn1)[C@@H]1CCN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)[C@@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@H](c1n[nH]c(=O)o1)Cc1ccc(cc1)OCc1cn2nn1)C(C)(C)C
 C83H98N18O15
1587.808000		 POABUJYLADOSRL-GRCCLMMRSA-N P98170, Q13489, Q13490 Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP
BindingDB, PubChem
BindingDB:BDBM312981; PubChem:CID138106680
 Local ready
Direct docking supported
E3L013819
BDB013819
 US9605022, Example 15
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@H](C#N)Cc1ccc(cc1)OCc1cn(nn1)[C@@H]1CCN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)[C@@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@H](C(=O)OC)c1ccc(cc1)OCc1cn2nn1)C(C)(C)C
 C80H95N17O12
1486.747000		 SXCAQTAHLMDLNJ-NSTGGYJFSA-N P98170, Q13489, Q13490 E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3
BindingDB, PubChem
BindingDB:BDBM312982; PubChem:CID138106681
 Local ready
Direct docking supported
E3L013820
BDB013820
 US9605022, Example 16
COC(=O)[C@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2[C@@H](CCN2C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)C(C)(C)C)n2cc(nn2)COc2ccc(cc2)C[C@@H](C#N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2[C@@H](CCN2C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)C(C)(C)C)n2cc(nn2)COc2ccc1cc2
 C90H111N17O16
1686.981000		 AQTZITKPGZRNPV-HBIGXWQSSA-N P98170, Q13489, Q13490 Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP
BindingDB, PubChem
BindingDB:BDBM312987; PubChem:CID118428896
 Local ready
Direct docking supported