E3 Ligase Ligand Database

MGD and E3 ligand related compounds for browsing and docking.
Reset
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
E3L061521
BDB061521
 BDBM50583855
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](C)NC1=O
 C63H96N20O16S
1421.652000		 GPWNLUMKVKGLHX-LEXUIDAJSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583855; PubChem:CID166636570
 Local ready
Direct docking supported
E3L061522
BDB061522
 BDBM50583856
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](C)NC(=O)[C@H](CCCNC(=N)N)NC1=O
 C60H99N23O16S
1430.664000		 AGEMMGWBVNANOF-KXPJEIABSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583856; PubChem:CID166634342
 Local ready
Direct docking supported
E3L061523
BDB061523
 BDBM50583857
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](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O
 C63H96N20O16S
1421.652000		 FJOLPMKMYNJASM-LEXUIDAJSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583857; PubChem:CID166625955
 Local ready
Direct docking supported
E3L061524
BDB061524
 BDBM50583858
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](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O
 C64H101N23O16S
1480.724000		 MKQIIPBJSAESTH-LEXUIDAJSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583858; PubChem:CID166625758
 Local ready
Direct docking supported
E3L061525
BDB061525
 BDBM50583859
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](C)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
 C63H96N22O16S
1449.666000		 ULLGJWBOOIOLBR-JJDCJYGQSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583859; PubChem:CID166625936
 Local ready
Direct docking supported
E3L061526
BDB061526
 BDBM50583860
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](C)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
 C65H103N23O14S
1462.753000		 YNLXYRNJXIPQLS-KFAMUQCISA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583860; PubChem:CID166632501
 Local ready
Direct docking supported
E3L061527
BDB061527
 BDBM50583861
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](C)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
 C63H96N20O16S
1421.652000		 IGRXYQYINDLUGY-LEXUIDAJSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583861; PubChem:CID166634171
 Local ready
Direct docking supported
E3L061528
BDB061528
 BDBM50583862
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)[C@H](C)NC(=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		 YZLDESWLHKPWRK-UDXVSVLKSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583862; PubChem:CID166632908
 Local ready
Direct docking supported
E3L061529
BDB061529
 BDBM50583863
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](C)NC(=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		 KFUBMWGPYYHABS-UDXVSVLKSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583863; PubChem:CID166630292
 Local ready
Direct docking supported
E3L061530
BDB061530
 BDBM50583864
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](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC1=O
 C54H93N19O16S
1296.522000		 UMCUJJDGGZXBHG-CKDDSVJPSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583864; PubChem:CID166632223
 Local ready
Direct docking supported
E3L061531
BDB061531
 BDBM50583865
CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC1=O
 C57H91N19O17S
1346.538000		 XTSJRIRLHQPLRF-WBWUMMAUSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583865; PubChem:CID166632077
 Local ready
Direct docking supported
E3L061532
BDB061532
 BDBM50583866
CC(C)C[C@@H]1NC(=O)[C@H](C)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](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC1=O
 C57H90N16O17S
1303.509000		 HQXCUXGJIQPANJ-WFGKYMDESA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583866; PubChem:CID166630946
 Local ready
Direct docking supported
E3L061533
BDB061533
 BDBM50583867
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](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC1=O
 C57H91N19O17S
1346.538000		 XDKNPICIRWTIKQ-WBWUMMAUSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583867; PubChem:CID166629745
 Local ready
Direct docking supported
E3L061534
BDB061534
 BDBM50583868
CC(C)C[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](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC1=O
 C57H90N18O17S
1331.523000		 KLOUIJYNTOGETQ-WBWUMMAUSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583868; PubChem:CID166628339
 Local ready
Direct docking supported
E3L061535
BDB061535
 BDBM50583869
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](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC1=O
 C58H95N19O17S
1362.581000		 WESCIQMPEZSZFX-WFGKYMDESA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583869; PubChem:CID166628749
 Local ready
Direct docking supported
E3L061536
BDB061536
 BDBM50583870
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](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC1=O
 C59H95N19O16S
1358.593000		 GSCHTBGIWQJRQO-KXPJEIABSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583870; PubChem:CID166626988
 Local ready
Direct docking supported
E3L061537
BDB061537
 BDBM50583871
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](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC1=O
 C59H96N18O16S
1345.594000		 KJKIWHMYQRVZAU-UVHYMYKPSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583871; PubChem:CID166630953
 Local ready
Direct docking supported
E3L061538
BDB061538
 BDBM50583872
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](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC1=O
 C58H94N18O16S
1331.567000		 PPJPEKWYFOGKEW-SHQZCWFUSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583872; PubChem:CID166633958
 Local ready
Direct docking supported
E3L061539
BDB061539
 BDBM50583873
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC1=O
 C61H99N19O17S
1402.646000		 DIJKSKFMYRYUON-AWBRKJSUSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583873; PubChem:CID166628858
 Local ready
Direct docking supported
E3L061540
BDB061540
 BDBM50583874
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC1=O
 C61H99N19O17S
1402.646000		 BXYZTDZBSKUGIQ-AWBRKJSUSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583874; PubChem:CID166629157
 Local ready
Direct docking supported