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
E3L061481
BDB061481
 BDBM50583815
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](Cc2ccncc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O
 C65H102N24O16S
1507.750000		 DKXNINFJXQFXDN-BHEJXMHWSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583815; PubChem:CID166631682
 Local ready
Direct docking supported
E3L061482
BDB061482
 BDBM50583816
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](CCc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O
 C67H105N23O16S
1520.789000		 VQJHHRYGMXIPPZ-SARDKLJWSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583816; PubChem:CID166632212
 Local ready
Direct docking supported
E3L061483
BDB061483
 BDBM50583817
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](CCc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O
 C67H105N23O17S
1536.788000		 RKPMWTPTHJZGRE-SARDKLJWSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583817; PubChem:CID166625966
 Local ready
Direct docking supported
E3L061484
BDB061484
 BDBM50583818
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](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC1=O
 C70H105N23O16S
1556.822000		 LZQHULIJRZDRDB-XBJFMILWSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583818; PubChem:CID166631652
 Local ready
Direct docking supported
E3L061485
BDB061485
 BDBM50583819
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](Cc2cccc3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC1=O
 C70H105N23O16S
1556.822000		 JYORZNUKZSVHLR-XBJFMILWSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583819; PubChem:CID166630534
 Local ready
Direct docking supported
E3L061486
BDB061486
 BDBM50583820
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]2Cc3ccccc3CN2C(=O)[C@H](CCCNC(=N)N)NC1=O
 C67H103N23O16S
1518.773000		 MIEBDUWPNDVKLL-SARDKLJWSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583820; PubChem:CID166628458
 Local ready
Direct docking supported
E3L061487
BDB061487
 BDBM50583821
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](CCCNC(=N)N)NC1=O
 C66H109N23O16S
1512.810000		 KLXMUHGJZLQVLU-CUZNLEPHSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583821; PubChem:CID166626137
 Local ready
Direct docking supported
E3L061488
BDB061488
 BDBM50583822
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
 C66H103N23O15S
1490.763000		 JBWXSYIBVVEFFT-CUZNLEPHSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583822; PubChem:CID166632660
 Local ready
Direct docking supported
E3L061489
BDB061489
 BDBM50583823
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2C(F)(F)F)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
 C67H102F3N23O15S
1558.760000		 YFBSERSANVQWMK-CUZNLEPHSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583823; PubChem:CID166627445
 Local ready
Direct docking supported
E3L061490
BDB061490
 BDBM50583824
CC(C)C[C@@H]1NC(=O)[C@H](Cc2cccc(C(F)(F)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
 C67H102F3N23O15S
1558.760000		 IFQLGYQPDMXYOB-CUZNLEPHSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583824; PubChem:CID166626184
 Local ready
Direct docking supported
E3L061491
BDB061491
 BDBM50583825
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(C(F)(F)F)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
 C67H102F3N23O15S
1558.760000		 RFFBPOZSYPZYLU-CUZNLEPHSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583825; PubChem:CID166631864
 Local ready
Direct docking supported
E3L061492
BDB061492
 BDBM50583826
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2C#N)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
 C67H102N24O15S
1515.773000		 UZYHEUBCRKZKIA-SARDKLJWSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583826; PubChem:CID166632879
 Local ready
Direct docking supported
E3L061493
BDB061493
 BDBM50583827
CC(C)C[C@@H]1NC(=O)[C@H](Cc2cccc(C#N)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
 C67H102N24O15S
1515.773000		 KRYKLXOQMYFGTQ-SARDKLJWSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583827; PubChem:CID166627949
 Local ready
Direct docking supported
E3L061494
BDB061494
 BDBM50583828
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(C#N)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
 C67H102N24O15S
1515.773000		 FZOXTYHYRLKVRU-SARDKLJWSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583828; PubChem:CID166631445
 Local ready
Direct docking supported
E3L061495
BDB061495
 BDBM50583829
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2F)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
 C66H102FN23O15S
1508.753000		 OGESQMRQAOCJCA-CUZNLEPHSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583829; PubChem:CID166631578
 Local ready
Direct docking supported
E3L061496
BDB061496
 BDBM50583830
CC(C)C[C@@H]1NC(=O)[C@H](Cc2cccc(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
 C66H102FN23O15S
1508.753000		 RWULZQFBEQRNKU-CUZNLEPHSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583830; PubChem:CID166628963
 Local ready
Direct docking supported
E3L061497
BDB061497
 BDBM50583831
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(F)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
 C66H102FN23O15S
1508.753000		 SUYHEFIEENRJLM-CUZNLEPHSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583831; PubChem:CID166630993
 Local ready
Direct docking supported
E3L061498
BDB061498
 BDBM50583832
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccn2)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
 C65H102N24O15S
1491.751000		 NGXSTEOMZAJUDE-BHEJXMHWSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583832; PubChem:CID166629188
 Local ready
Direct docking supported
E3L061499
BDB061499
 BDBM50583833
CC(C)C[C@@H]1NC(=O)[C@H](Cc2cccnc2)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
 C65H102N24O15S
1491.751000		 ORCQGHZTDJKZAC-BHEJXMHWSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583833; PubChem:CID166635260
 Local ready
Direct docking supported
E3L061500
BDB061500
 BDBM50583834
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccncc2)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
 C65H102N24O15S
1491.751000		 FCDMFCWOSBGCHV-BHEJXMHWSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50583834; PubChem:CID166634571
 Local ready
Direct docking supported