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
E3L055121
BDB055121
 BDBM50401476
CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CNCc1ccccc1)CC[C@H]2C(=O)N[C@@H](c1ccccc1)c1cn(CCCCc2ccc(CCCCn3cc([C@@H](NC(=O)[C@@H]4CC[C@@H]5CC[C@H](CNCc6ccccc6)[C@H](NC(=O)[C@H](CC)NC)C(=O)N54)c4ccccc4)nn3)cc2)nn1
 C78H102N16O6
1359.780000		 OGPRKAZTKIYTCI-LZSNRFDRSA-N P98170, Q13490 E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2
BindingDB
BindingDB:BDBM50401476
 Local ready
Direct docking supported
E3L055122
BDB055122
 BDBM50401477
CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CCNC(=O)CCc1cn(CCOCCOCCOCCNC(=O)[C@@H](NC(=O)[C@@H]3CC[C@@H]4CC[C@H](CO)[C@H](NC(=O)[C@H](CC)NC)C(=O)N43)c3ccccc3)nn1)CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1
 C67H95N13O12
1274.576000		 KPERLEZLNFSKGP-CGARFSQVSA-N P98170, Q13490 Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP
BindingDB
BindingDB:BDBM50401477
 Local ready
Direct docking supported
E3L055123
BDB055123
 BDBM50401478
CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1Cn1cc(CCC(=O)NCCOCCOCCOCCNC(=O)[C@@H](NC(=O)[C@@H]3CC[C@@H]4CC[C@H](CO)[C@H](NC(=O)[C@H](CC)NC)C(=O)N43)c3ccccc3)nn1)CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1
 C66H93N13O12
1260.549000		 KFRGPDCVABFMNF-IZPHRNLASA-N P98170, Q13490 E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2
BindingDB
BindingDB:BDBM50401478
 Local ready
Direct docking supported
E3L055124
BDB055124
 BDBM50401479
CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CNC(=O)COCC(=O)NCCOCCOCCOCCNC(=O)[C@@H](NC(=O)[C@@H]1CC[C@@H]3CC[C@H](CO)[C@H](NC(=O)[C@H](CC)NC)C(=O)N31)c1ccccc1)CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1
 C65H93N11O14
1252.522000		 HESQEMUUNYYXMG-DWIVRWMVSA-N P98170, Q13490 Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP
BindingDB
BindingDB:BDBM50401479
 Local ready
Direct docking supported
E3L055125
BDB055125
 BDBM50401480
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1Cn1nnnc1Sc1ccccc1)[C@H](C)OCC#CC#CCO[C@@H](C)[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1Cn1nnnc1Sc1ccccc1
 C46H60N14O6S2
969.212000		 CDUYVSXKBIKUNH-HVFHUQRBSA-N P98170, Q13490 E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2
BindingDB
BindingDB:BDBM50401480
 Local ready
Direct docking supported
E3L055126
BDB055126
 BDBM50401481
CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CNC(=O)c1cn(C[C@H]3CC[C@H]4CC[C@@H](C(=O)NC(c5ccccc5)c5ccccc5)N4C(=O)[C@H]3NC(=O)[C@H](CC)NC)nn1)CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1
 C61H76N12O7
1089.356000		 XQDCNKGNHWZJNL-TWPFRMRKSA-N P98170, Q13490 E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2
BindingDB
BindingDB:BDBM50401481
 Local ready
Direct docking supported
E3L055127
BDB055127
 BDBM50401482
CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CNC(=O)CCc1cn(C[C@H]3CC[C@H]4CC[C@@H](C(=O)NC(c5ccccc5)c5ccccc5)N4C(=O)[C@H]3NC(=O)[C@H](CC)NC)nn1)CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1
 C63H80N12O7
1117.410000		 MNFHOUJRTFUIQJ-VMKLHURBSA-N P98170, Q13490 Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP
BindingDB
BindingDB:BDBM50401482
 Local ready
Direct docking supported
E3L055128
BDB055128
 BDBM50401483
CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CNC(=O)CCCC#CC#CCCCC(=O)NC[C@H]1CC[C@H]3CC[C@@H](C(=O)NC(c4ccccc4)c4ccccc4)N3C(=O)[C@H]1NC(=O)[C@H](CC)NC)CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1
 C70H88N10O8
1197.536000		 FDGOQDOYZLIFKI-BLWMZYLDSA-N P98170, Q13490 Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP
BindingDB
BindingDB:BDBM50401483
 Local ready
Direct docking supported
E3L055129
BDB055129
 BDBM50401484
CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CNC(=O)CCCCCCCCC(=O)NC[C@H]1CC[C@H]3CC[C@@H](C(=O)NC(c4ccccc4)c4ccccc4)N3C(=O)[C@H]1NC(=O)[C@H](CC)NC)CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1
 C68H92N10O8
1177.546000		 RAFMZBCYVHJCOA-IYVWSEGVSA-N P98170, Q13490 Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP
BindingDB
BindingDB:BDBM50401484
 Local ready
Direct docking supported
E3L055130
BDB055130
 BDBM50401485
CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CNC(=O)COCCOCCOCC(=O)NC[C@H]1CC[C@H]3CC[C@@H](C(=O)NC(c4ccccc4)c4ccccc4)N3C(=O)[C@H]1NC(=O)[C@H](CC)NC)CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1
 C66H88N10O11
1197.489000		 LPWZUSXPNBYNES-HDOLAXOGSA-N P98170, Q13490 Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP
BindingDB
BindingDB:BDBM50401485
 Local ready
Direct docking supported
E3L055131
BDB055131
 BDBM50401486
CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CNC(=O)COCCOCCOCCOCC(=O)NC[C@H]1CC[C@H]3CC[C@@H](C(=O)NC(c4ccccc4)c4ccccc4)N3C(=O)[C@H]1NC(=O)[C@H](CC)NC)CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1
 C68H92N10O12
1241.542000		 BIJRXSJGNSNKPL-IYVWSEGVSA-N P98170 E3 ubiquitin-protein ligase XIAP
BindingDB
BindingDB:BDBM50401486
 Local ready
Direct docking supported
E3L055132
BDB055132
 BDBM50401487
CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CNC(=O)CCCCC#CC#CCCCCCC(=O)NC[C@H]1CC[C@H]3CC[C@@H](C(=O)NC(c4ccccc4)c4ccccc4)N3C(=O)[C@H]1NC(=O)[C@H](CC)NC)CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1
 C73H94N10O8
1239.617000		 ILUCIOAXXMVZQU-INAHIPECSA-N P98170, Q13490 Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP
BindingDB
BindingDB:BDBM50401487
 Local ready
Direct docking supported
E3L055133
BDB055133
 BDBM50401488
CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CNC(=O)CCCCc1cn(CCCCc3ccc(CCCCn4cc(CCCCC(=O)NC[C@H]5CC[C@H]6CC[C@@H](C(=O)NC(c7ccccc7)c7ccccc7)N6C(=O)[C@H]5NC(=O)[C@H](CC)NC)nn4)cc3)nn1)CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1
 C86H114N16O8
1499.962000		 IUQSNYOPAPGETG-PRGBZCEMSA-N P98170, Q13490 Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP
BindingDB
BindingDB:BDBM50401488
 Local ready
Direct docking supported
E3L055134
BDB055134
 BDBM50401489
CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CNC(=O)CCNc1c(NCCC(=O)NC[C@H]3CC[C@H]4CC[C@@H](C(=O)NC(c5ccccc5)c5ccccc5)N4C(=O)[C@H]3NC(=O)[C@H](CC)NC)c(=O)c1=O)CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1
 C68H86N12O10
1231.510000		 SWUBQBCSSORSRT-IAVHZARYSA-N P98170 E3 ubiquitin-protein ligase XIAP
BindingDB
BindingDB:BDBM50401489
 Local ready
Direct docking supported
E3L055135
BDB055135
 BDBM50401490
CC[C@H](N)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1Cn1cc(CO[C@H](C)[C@H](NC(=O)[C@H](C)NC)C(=O)N3CCC[C@H]3Cn3nnnc3Sc3ccccc3)nn1)CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1
 C51H66N14O6S
1003.248000		 BRWLIEAAZNQVQL-UQEBNIKJSA-N P98170 E3 ubiquitin-protein ligase XIAP
BindingDB
BindingDB:BDBM50401490
 Local ready
Direct docking supported
E3L055136
BDB055136
 BDBM50401491
CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CO)CC[C@H]2C(=O)N[C@@H](c1ccccc1)c1cn(CCCCc2ccc(CCCCn3cc([C@@H](NC(=O)[C@@H]4CC[C@@H]5CC[C@H](CO)[C@H](NC(=O)[C@H](CC)NC)C(=O)N54)c4ccccc4)nn3)cc2)nn1
 C64H88N14O8
1181.498000		 XKEIDWZKJDOBEL-OKDMWEIPSA-N P98170, Q13490 Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP
BindingDB
BindingDB:BDBM50401491
 Local ready
Direct docking supported
E3L055137
BDB055137
 BDBM50401492
CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CO)CC[C@H]2C(=O)N[C@H](C(=O)NCCCCCCCCNC(=O)[C@@H](NC(=O)[C@@H]1CC[C@@H]2CC[C@H](CO)[C@H](NC(=O)[C@H](CC)NC)C(=O)N21)c1ccccc1)c1ccccc1
 C56H84N10O10
1057.348000		 YJQFWHYMLWMKJK-MKCFHCORSA-N P98170, Q13490 E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2
BindingDB
BindingDB:BDBM50401492
 Local ready
Direct docking supported
E3L055138
BDB055138
 BDBM50401493
CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CO)CC[C@H]2C(=O)N[C@H](C(=O)NCCCOCCOCCOCCCNC(=O)[C@@H](NC(=O)[C@@H]1CC[C@@H]2CC[C@H](CO)[C@H](NC(=O)[C@H](CC)NC)C(=O)N21)c1ccccc1)c1ccccc1
 C58H88N10O13
1133.399000		 FGDXYJJKIYGYHI-ZDURKQSOSA-N P98170, Q13490 E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2
BindingDB
BindingDB:BDBM50401493
 Local ready
Direct docking supported
E3L055139
BDB055139
 BDBM50401494
CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CCN)CC[C@H]2C(=O)N[C@H](C(=O)NCCCOCCOCCOCCCNC(=O)[C@@H](NC(=O)[C@@H]1CC[C@@H]2CC[C@H](CCN)[C@H](NC(=O)[C@H](CC)NC)C(=O)N21)c1ccccc1)c1ccccc1
 C60H94N12O11
1159.485000		 OXHHGMBDNAVUSC-JHEUTQGQSA-N P98170 E3 ubiquitin-protein ligase XIAP
BindingDB
BindingDB:BDBM50401494
 Local ready
Direct docking supported
E3L055140
BDB055140
 BDBM50401746
C[C@H](NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC(=O)O
 C16H21N3O6
351.359000		 VQDVDJQYFIVYCL-JQWIXIFHSA-N P19021 Peptidyl-glycine alpha-amidating monooxygenase
BindingDB, PubChem
BindingDB:BDBM50401746; PubChem:CID71454253
 Local ready
Direct docking supported