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
E3L061501
BDB061501
 BDBM50583835
COc1ccccc1C[C@@H]1NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC1=O
 C67H105N23O16S
1520.789000		 DJDRQAPNHBJQEQ-CUZNLEPHSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583835; PubChem:CID166625270
 Local ready
Direct docking supported
E3L061502
BDB061502
 BDBM50583836
COc1cccc(C[C@@H]2NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC2=O)c1
 C67H105N23O16S
1520.789000		 RFRCGSVRZDDVNZ-SARDKLJWSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583836; PubChem:CID166635901
 Local ready
Direct docking supported
E3L061503
BDB061503
 BDBM50583837
COc1ccc(C[C@@H]2NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC2=O)cc1
 C67H105N23O16S
1520.789000		 ZXASXKALOQVMQO-SARDKLJWSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583837; PubChem:CID166627585
 Local ready
Direct docking supported
E3L061504
BDB061504
 BDBM50583838
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)c([N+](=O)[O-])c2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O
 C66H102N24O18S
1551.759000		 RJBONHYCDVNGMW-CIRMSXBNSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583838; PubChem:CID166634677
 Local ready
Direct docking supported
E3L061505
BDB061505
 BDBM50583839
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)c(F)c2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O
 C66H102FN23O16S
1524.752000		 LTMHQLLUBMJSSK-BHEJXMHWSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583839; PubChem:CID166625817
 Local ready
Direct docking supported
E3L061506
BDB061506
 BDBM50583840
CC(C)C[C@@H]1NC(=O)[C@H](CCc2ccccc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O
 C67H105N23O15S
1504.790000		 DXSIJFRCDMHANV-SARDKLJWSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583840; PubChem:CID166626826
 Local ready
Direct docking supported
E3L061507
BDB061507
 BDBM50583841
CC(C)C[C@@H]1NC(=O)[C@H](CCc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O
 C67H105N23O16S
1520.789000		 DLZMAOHGLYAPKC-SARDKLJWSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583841; PubChem:CID166634904
 Local ready
Direct docking supported
E3L061508
BDB061508
 BDBM50583842
CC(C)C[C@@H]1NC(=O)[C@H](CC2CCCCC2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O
 C66H109N23O15S
1496.811000		 RQVXCUDTXQLSKN-CUZNLEPHSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583842; PubChem:CID166636268
 Local ready
Direct docking supported
E3L061509
BDB061509
 BDBM50583843
CC(C)C[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O
 C62H103N23O15S
1442.719000		 ASWXAVIFMFKSQP-WLAJPBTHSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583843; PubChem:CID166627086
 Local ready
Direct docking supported
E3L061510
BDB061510
 BDBM50583844
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCNC(=N)N)NC1=O
 C65H101N23O16S
1492.735000		 MRIOJFYDHVABKG-BHEJXMHWSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583844; PubChem:CID166626837
 Local ready
Direct docking supported
E3L061511
BDB061511
 BDBM50583845
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCNC(=N)N)NC1=O
 C67H105N23O16S
1520.789000		 WGJZVJLJNHFMQY-SARDKLJWSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583845; PubChem:CID166632283
 Local ready
Direct docking supported
E3L061512
BDB061512
 BDBM50583846
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCN)NC1=O
 C65H101N21O16S
1464.721000		 KFWAJDVYYQTJMT-CUZNLEPHSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583846; PubChem:CID166633889
 Local ready
Direct docking supported
E3L061513
BDB061513
 BDBM50583847
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O
 C65H101N23O16S
1492.735000		 GISZXSGOPYUBSG-BHEJXMHWSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583847; PubChem:CID166633897
 Local ready
Direct docking supported
E3L061514
BDB061514
 BDBM50583848
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O
 C67H105N23O16S
1520.789000		 VEEUNEDWTAZPNP-SARDKLJWSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583848; PubChem:CID166629639
 Local ready
Direct docking supported
E3L061515
BDB061515
 BDBM50583849
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O
 C65H101N21O16S
1464.721000		 ZRDDBFWQJGEBNI-CUZNLEPHSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583849; PubChem:CID166630535
 Local ready
Direct docking supported
E3L061516
BDB061516
 BDBM50583850
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)NC1=O
 C66H103N21O16S
1478.748000		 RLATYRCRPHGNBF-SARDKLJWSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583850; PubChem:CID166625919
 Local ready
Direct docking supported
E3L061517
BDB061517
 BDBM50583851
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O
 C66H103N21O16S
1478.748000		 NHHUTPHLRWEMAP-SARDKLJWSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583851; PubChem:CID166634552
 Local ready
Direct docking supported
E3L061518
BDB061518
 BDBM50583852
C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O
 C63H97N23O16S
1464.681000		 LSEBNSHWDLMCIR-JJDCJYGQSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583852; PubChem:CID166628315
 Local ready
Direct docking supported
E3L061519
BDB061519
 BDBM50583853
CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O
 C60H99N23O15S
1414.665000		 DKPIEHRACOZOCR-MJNVZNKNSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583853; PubChem:CID166636454
 Local ready
Direct docking supported
E3L061520
BDB061520
 BDBM50583854
CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC1=O
 C63H99N17O15S
1366.656000		 WKRZKKJWOWFKEX-GYXDNPSWSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583854; PubChem:CID166628075
 Local ready
Direct docking supported