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
E3L061461
BDB061461
 BDBM50583795
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CSCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1)C(=O)N[C@@H](CO)C(N)=O
 C80H121N21O22S
1761.040000		 AUJZFYKELDELPE-DAPVHDTESA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583795; PubChem:CID166631694
 Local ready
Direct docking supported
E3L061462
BDB061462
 BDBM50583796
CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2)C(=O)CCSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC1=O
 C82H138N32O18S3
1956.413000		 PAROXNZLJADTLW-BLSIRIBZSA-N P00748 Coagulation factor XII
BindingDB
BindingDB:BDBM50583796
 Local ready
Direct docking supported
E3L061463
BDB061463
 BDBM50583797
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](Cc2ccccc2F)NC(=O)[C@H](CCCNC(=N)N)NC1=O
 C66H102FN23O16S
1524.752000		 JCIOSEINDAPDQJ-CUZNLEPHSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583797; PubChem:CID166633467
 Local ready
Direct docking supported
E3L061464
BDB061464
 BDBM50583798
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](Cc2cccc(F)c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O
 C66H102FN23O16S
1524.752000		 VHLJWVFPJIFJQX-CUZNLEPHSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583798; PubChem:CID166628222
 Local ready
Direct docking supported
E3L061465
BDB061465
 BDBM50583799
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](Cc2ccc(F)cc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O
 C66H102FN23O16S
1524.752000		 WGGCAZXHCNLUCG-CUZNLEPHSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583799; PubChem:CID166631064
 Local ready
Direct docking supported
E3L061466
BDB061466
 BDBM50583800
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](Cc2ccccc2C(F)(F)F)NC(=O)[C@H](CCCNC(=N)N)NC1=O
 C67H102F3N23O16S
1574.759000		 VLKDDKBZHDERCN-CUZNLEPHSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583800; PubChem:CID166635886
 Local ready
Direct docking supported
E3L061467
BDB061467
 BDBM50583801
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](Cc2cccc(C(F)(F)F)c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O
 C67H102F3N23O16S
1574.759000		 WRNVFPWEZUMBSW-CUZNLEPHSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583801; PubChem:CID166629696
 Local ready
Direct docking supported
E3L061468
BDB061468
 BDBM50583802
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](Cc2ccc(C(F)(F)F)cc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O
 C67H102F3N23O16S
1574.759000		 JEKRGGTXRPCTES-CUZNLEPHSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583802; PubChem:CID166630417
 Local ready
Direct docking supported
E3L061469
BDB061469
 BDBM50583803
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](Cc2ccccc2C#N)NC(=O)[C@H](CCCNC(=N)N)NC1=O
 C67H102N24O16S
1531.772000		 UNGIJCNKWGGIRE-SARDKLJWSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583803; PubChem:CID166630918
 Local ready
Direct docking supported
E3L061470
BDB061470
 BDBM50583804
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](Cc2cccc(C#N)c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O
 C67H102N24O16S
1531.772000		 ADJDGDYSKDYEBE-SARDKLJWSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583804; PubChem:CID166633603
 Local ready
Direct docking supported
E3L061471
BDB061471
 BDBM50583805
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](Cc2ccc(C#N)cc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O
 C67H102N24O16S
1531.772000		 TULTZMYDUVJVED-SARDKLJWSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583805; PubChem:CID166629794
 Local ready
Direct docking supported
E3L061472
BDB061472
 BDBM50583806
Cc1ccccc1C[C@@H]1NC(=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](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)NC1=O
 C67H105N23O16S
1520.789000		 ITZTUWADDZCIAR-SARDKLJWSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583806; PubChem:CID166634886
 Local ready
Direct docking supported
E3L061473
BDB061473
 BDBM50583807
Cc1cccc(C[C@@H]2NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3ccc(O)cc3)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]3CCCN3C(=O)[C@H](CCCNC(=N)N)NC2=O)c1
 C67H105N23O16S
1520.789000		 WWOACQCOJOTRCY-SARDKLJWSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583807; PubChem:CID166628463
 Local ready
Direct docking supported
E3L061474
BDB061474
 BDBM50583808
Cc1ccc(C[C@@H]2NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3ccc(O)cc3)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]3CCCN3C(=O)[C@H](CCCNC(=N)N)NC2=O)cc1
 C67H105N23O16S
1520.789000		 NNNHGFUSDYBMIO-SARDKLJWSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583808; PubChem:CID166632491
 Local ready
Direct docking supported
E3L061475
BDB061475
 BDBM50583809
COc1ccccc1C[C@@H]1NC(=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](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)NC1=O
 C67H105N23O17S
1536.788000		 IKZKBHMPKOIKKF-CUZNLEPHSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583809; PubChem:CID166635503
 Local ready
Direct docking supported
E3L061476
BDB061476
 BDBM50583810
COc1cccc(C[C@@H]2NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3ccc(O)cc3)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]3CCCN3C(=O)[C@H](CCCNC(=N)N)NC2=O)c1
 C67H105N23O17S
1536.788000		 NIDKLCCPGRPDFL-SARDKLJWSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583810; PubChem:CID166635759
 Local ready
Direct docking supported
E3L061477
BDB061477
 BDBM50583811
COc1ccc(C[C@@H]2NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3ccc(O)cc3)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]3CCCN3C(=O)[C@H](CCCNC(=N)N)NC2=O)cc1
 C67H105N23O17S
1536.788000		 OBHMYZDTPLHHGN-SARDKLJWSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583811; PubChem:CID166630260
 Local ready
Direct docking supported
E3L061478
BDB061478
 BDBM50583812
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](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O
 C66H103N23O17S
1522.761000		 CCMWXGHZOULIJV-CUZNLEPHSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583812; PubChem:CID166632921
 Local ready
Direct docking supported
E3L061479
BDB061479
 BDBM50583813
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](Cc2ccccn2)NC(=O)[C@H](CCCNC(=N)N)NC1=O
 C65H102N24O16S
1507.750000		 LPMQJKCQPSYSIE-BHEJXMHWSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583813; PubChem:CID166630569
 Local ready
Direct docking supported
E3L061480
BDB061480
 BDBM50583814
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](Cc2cccnc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O
 C65H102N24O16S
1507.750000		 WLPCIEGTUOEQIM-BHEJXMHWSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583814; PubChem:CID166631700
 Local ready
Direct docking supported