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
E3L057741
BDB057741
 BDBM50495432
CCC(=O)Nc1cc(-c2nn3c(C)nnc3c3ccccc23)ccc1C
 C20H19N5O
345.406000		 PMYGONIFXBXQCE-UHFFFAOYSA-N O15164, Q92793 Transcription intermediary factor 1-alpha, CREB-binding protein
BindingDB, PubChem
BindingDB:BDBM50495432; PubChem:CID4908238
 Local ready
Direct docking supported
E3L057742
BDB057742
 BDBM50495440
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H]1c2ccccc2C[C@H]1NC(=O)c1ccc(C(=O)N[C@@H]2Cc3ccccc3[C@@H]2NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](C)NC)C2CCCCC2)cc1)C1CCCCC1
 C60H80N10O8
1069.362000		 YOENMCRDCKGFEU-KIGZWKAQSA-N Q13490 Baculoviral IAP repeat-containing protein 2
BindingDB
BindingDB:BDBM50495440
 Local ready
Direct docking supported
E3L057743
BDB057743
 BDBM50495441
C#CCO[C@@H]1CCc2ccccc2[C@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C
 C28H40N4O4
496.652000		 ZCXPLHTWEZNUGW-ZNKILWFQSA-N P98170, Q13490 Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP
BindingDB
BindingDB:BDBM50495441
 Local ready
Direct docking supported
E3L057744
BDB057744
 BDBM50495442
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1c2ccccc2CC[C@H]1OCC#CC#CCO[C@@H]1CCc2ccccc2[C@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(C)(C)C
 C56H78N8O8
991.288000		 UFQXTNWHNXJMSQ-KJJIKGFRSA-N Q13490 Baculoviral IAP repeat-containing protein 2
BindingDB
BindingDB:BDBM50495442
 Local ready
Direct docking supported
E3L057745
BDB057745
 BDBM50495443
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC=C[C@H]1C(=O)N[C@H]1c2ccccc2C[C@H]1OCC#CC#CCO[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@@H]1C=CCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCCCC1)C1CCCCC1
 C58H74N8O8
1011.278000		 ISEPETSDHKKFSJ-ZVMUOSSASA-N Q13490 Baculoviral IAP repeat-containing protein 2
BindingDB
BindingDB:BDBM50495443
 Local ready
Direct docking supported
E3L057746
BDB057746
 BDBM50495444
CN[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H]1c2ccccc2C[C@H]1OCC#CC#CCO[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC
 C54H76N10O8
993.264000		 LICYGAFBSQFABS-UHSSPTHGSA-N Q13490 Baculoviral IAP repeat-containing protein 2
BindingDB
BindingDB:BDBM50495444
 Local ready
Direct docking supported
E3L057747
BDB057747
 BDBM50495445
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H]1c2ccccc2C[C@H]1OCC#CC#CCO[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)C)C(C)C
 C52H70N8O8
935.180000		 JFNMFESDVXJTFA-AAEHSREKSA-N Q13490 Baculoviral IAP repeat-containing protein 2
BindingDB
BindingDB:BDBM50495445
 Local ready
Direct docking supported
E3L057748
BDB057748
 BDBM50495446
C#CCO[C@H]1CCc2ccccc2[C@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C
 C28H40N4O4
496.652000		 ZCXPLHTWEZNUGW-OTGYPNLISA-N P98170, Q13490 Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP
BindingDB
BindingDB:BDBM50495446
 Local ready
Direct docking supported
E3L057749
BDB057749
 BDBM50495447
C#CCO[C@H]1CCc2ccccc2[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C
 C28H40N4O4
496.652000		 ZCXPLHTWEZNUGW-KGZUAYNTSA-N P98170, Q13490 E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2
BindingDB
BindingDB:BDBM50495447
 Local ready
Direct docking supported
E3L057750
BDB057750
 BDBM50495448
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H]1c2ccccc2C[C@H]1NC(=O)CCCCCCCCC(=O)N[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCCCC1)C1CCCCC1
 C62H92N10O8
1105.480000		 RIANMXQTGQXBRN-ODIZVHPFSA-N Q13490 Baculoviral IAP repeat-containing protein 2
BindingDB
BindingDB:BDBM50495448
 Local ready
Direct docking supported
E3L057751
BDB057751
 BDBM50495449
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H]1c2ccccc2C[C@H]1NC(=O)c1ccc(-c2ccc(C(=O)N[C@@H]3Cc4ccccc4[C@@H]3NC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)[C@H](C)NC)C3CCCCC3)cc2)cc1)C1CCCCC1
 C66H84N10O8
1145.460000		 YBAFWCPACTWOJZ-DEIQMJFBSA-N Q13490 Baculoviral IAP repeat-containing protein 2
BindingDB
BindingDB:BDBM50495449
 Local ready
Direct docking supported
E3L057752
BDB057752
 BDBM50495450
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H]1c2ccccc2C[C@H]1OCC#CC#CCO[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCN(C(C)=O)CC1)C1CCN(C(C)=O)CC1
 C60H80N10O10
1101.360000		 ANXADOFCYTZHLR-KEMMXFOBSA-N Q13490 Baculoviral IAP repeat-containing protein 2
BindingDB
BindingDB:BDBM50495450
 Local ready
Direct docking supported
E3L057753
BDB057753
 Azd5582
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H]1c2ccccc2C[C@H]1OCC#CC#CCO[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCCCC1)C1CCCCC1
 C58H78N8O8
1015.310000		 WLMCRYCCYXHPQF-ZVMUOSSASA-N P98170, Q13489, Q13490 Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3
BindingDB, PubChem
BindingDB:BDBM50495451; PubChem:CID49847690
 Local ready
Direct docking supported
E3L057754
BDB057754
 BDBM50495452
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC1(C(=O)NCC#CC#CCNC(=O)C2(NC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)[C@H](C)NC)C3CCCCC3)Cc3ccccc3C2)Cc2ccccc2C1)C1CCCCC1
 C60H80N10O8
1069.362000		 VWUMJOWDACLDES-PBUQQEINSA-N Q13490 Baculoviral IAP repeat-containing protein 2
BindingDB
BindingDB:BDBM50495452
 Local ready
Direct docking supported
E3L057755
BDB057755
 BDBM50495453
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CSC[C@H]1C(=O)N[C@H]1c2ccccc2C[C@H]1OCC#CC#CCO[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@@H]1CSCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(C)(C)C
 C52H70N8O8S2
999.314000		 YFOHWHMKGJZSID-PUGYGLGLSA-N Q13490 Baculoviral IAP repeat-containing protein 2
BindingDB
BindingDB:BDBM50495453
 Local ready
Direct docking supported
E3L057756
BDB057756
 BDBM50495454
C#CCO[C@@H]1CCc2ccccc2[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C
 C28H40N4O4
496.652000		 ZCXPLHTWEZNUGW-IPVWATMDSA-N P98170, Q13490 E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2
BindingDB
BindingDB:BDBM50495454
 Local ready
Direct docking supported
E3L057757
BDB057757
 BDBM50495455
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1c2ccccc2CC[C@@H]1OCC#CC#CCO[C@H]1CCc2ccccc2[C@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(C)(C)C
 C56H78N8O8
991.288000		 UFQXTNWHNXJMSQ-IYMUHQDJSA-N Q13490 Baculoviral IAP repeat-containing protein 2
BindingDB
BindingDB:BDBM50495455
 Local ready
Direct docking supported
E3L057758
BDB057758
 BDBM50495456
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H]1c2ccccc2C[C@H]1OCCOCCO[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCCCC1)C1CCCCC1
 C56H82N8O9
1011.319000		 VWEXEFYUOZGEJJ-SEIFYMAFSA-N Q13490 Baculoviral IAP repeat-containing protein 2
BindingDB
BindingDB:BDBM50495456
 Local ready
Direct docking supported
E3L057759
BDB057759
 BDBM50495457
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H]1c2ccccc2C[C@H]1OCCCCCCO[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCCCC1)C1CCCCC1
 C58H86N8O8
1023.374000		 XTIVJEBXVICJJK-ZVMUOSSASA-N Q13490 Baculoviral IAP repeat-containing protein 2
BindingDB
BindingDB:BDBM50495457
 Local ready
Direct docking supported
E3L057760
BDB057760
 BDBM50495458
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H]1c2ccccc2C[C@@H]1OCC#CC#CCO[C@H]1Cc2ccccc2[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCCCC1)C1CCCCC1
 C58H78N8O8
1015.310000		 WLMCRYCCYXHPQF-UHIPAYCFSA-N Q13490 Baculoviral IAP repeat-containing protein 2
BindingDB
BindingDB:BDBM50495458
 Local ready
Direct docking supported