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
E3L048961
BDB048961
 Chlorocyclinone C
COC(=O)c1cc2c(c(O)c1C(C)OC(=O)CO)C(=O)c1c(O)cc3cc(C)c(Cl)c(OC)c3c1C2=O
 C26H21ClO10
528.897000		 LMNHPKWXMIGBEL-UHFFFAOYSA-N P37231 Peroxisome proliferator-activated receptor gamma
BindingDB, PubChem
BindingDB:BDBM50228359; PubChem:CID24180661
 Local ready
Direct docking supported
E3L048962
BDB048962
 Chlorocyclinone B
COC(=O)c1cc2c(c(O)c1C(C)OC(C)=O)C(=O)c1c(O)cc3cc(C)c(Cl)c(OC)c3c1C2=O
 C26H21ClO9
512.898000		 MFLXCCWOEBQIHW-UHFFFAOYSA-N P37231 Peroxisome proliferator-activated receptor gamma
BindingDB, PubChem
BindingDB:BDBM50228360; PubChem:CID24762580
 Local ready
Direct docking supported
E3L048963
BDB048963
 Chlorocyclinone D
COc1c(Cl)c(C)cc2cc(O)c3c(c12)C(=O)c1cc2c(c(O)c1C3=O)C(C)OC2=O
 C23H15ClO7
438.819000		 RSSUHOCYQSARQQ-UHFFFAOYSA-N P37231 Peroxisome proliferator-activated receptor gamma
BindingDB, PubChem
BindingDB:BDBM50228361; PubChem:CID24762578
 Local ready
Direct docking supported
E3L048964
BDB048964
 BDBM50228380
C=C(C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCC(C)C
 C35H57N3O6
615.856000		 KMIWCPRVDHQNGQ-XPTOATBXSA-N P00797 Renin
BindingDB
BindingDB:BDBM50228380
 Local ready
Direct docking supported
E3L048965
BDB048965
 BDBM50228479
CC(C)OC(=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc12
 C38H51N5O7
689.854000		 NQXSBCTYTMQGGJ-WYFDDLIVSA-N P00797 Renin
BindingDB
BindingDB:BDBM50228479
 Local ready
Direct docking supported
E3L048966
BDB048966
 BDBM50228789
CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)N1C(=O)CC[C@@H](NC(=O)OCc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C1=O
 C44H55N7O7
793.966000		 TZVBFXSRCCPHBA-UYFSSDKWSA-N P00797 Renin
BindingDB
BindingDB:BDBM50228789
 Local ready
Direct docking supported
E3L048967
BDB048967
 BDBM50229732
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)C(C)C)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
 C81H135N29O18S3
1899.357000		 YDGBIBZZLWVYGU-BICFUCFPSA-N P00748 Coagulation factor XII
BindingDB
BindingDB:BDBM50229732
 Local ready
Direct docking supported
E3L048968
BDB048968
 BDBM50229733
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](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC1=O)C(=O)CCSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N2
 C79H131N29O18S3
1871.303000		 SDPOWUXBUPSFJD-ZFTOESBASA-N P00748 Coagulation factor XII
BindingDB
BindingDB:BDBM50229733
 Local ready
Direct docking supported
E3L048969
BDB048969
 BDBM50229734
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)CCCCN)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
 C82H138N30O18S3
1928.399000		 RGOPCYSWTLYEKK-FTNAAAGFSA-N P00748 Coagulation factor XII
BindingDB
BindingDB:BDBM50229734
 Local ready
Direct docking supported
E3L048970
BDB048970
 BDBM50229735
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](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC1=O)C(=O)CCSC[C@H](NC(=O)[C@H](N)CCCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N2
 C83H140N30O18S3
1942.426000		 XMNQDGAGOFHONI-PBOXVFBZSA-N P00748 Coagulation factor XII
BindingDB
BindingDB:BDBM50229735
 Local ready
Direct docking supported
E3L048971
BDB048971
 BDBM50229736
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](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC1=O)C(=O)CCSC[C@H](NC(=O)[C@H](N)CCCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N2
 C83H140N32O18S3
1970.440000		 XMFXXXBHZFJGDV-LNPBERGLSA-N P00748 Coagulation factor XII
BindingDB
BindingDB:BDBM50229736
 Local ready
Direct docking supported
E3L048972
BDB048972
 BDBM50229737
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](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC1=O)C(=O)CCSC[C@H](NC(=O)[C@H](N)Cc1ccc(NC(=N)N)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N2
 C86H138N32O18S3
2004.457000		 QXXDEOMKWMYJRW-QMFTZTDLSA-N P00748 Coagulation factor XII
BindingDB
BindingDB:BDBM50229737
 Local ready
Direct docking supported
E3L048973
BDB048973
 BDBM50229738
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)CCNC(=N)N)C(=O)N[C@@H](Cc3ccc(F)cc3)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
 C81H135FN32O18S3
1960.376000		 SBHHAJOLSBKKBX-JWKNPDOPSA-N P00748 Coagulation factor XII
BindingDB
BindingDB:BDBM50229738
 Local ready
Direct docking supported
E3L048974
BDB048974
 BDBM50229739
CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(=N)N)CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)CSCCC3=O
 C90H142N34O19S3
2100.546000		 DVLAEBFALZCRLQ-VCJMGQFNSA-N P00748 Coagulation factor XII
BindingDB
BindingDB:BDBM50229739
 Local ready
Direct docking supported
E3L048975
BDB048975
 BDBM50229740
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](CCC3CCCCC3)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)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC1=O
 C94H156N34O19S3
2162.702000		 OMNKGCMYRVQDAN-WDMUSLQMSA-N P00748 Coagulation factor XII
BindingDB
BindingDB:BDBM50229740
 Local ready
Direct docking supported
E3L048976
BDB048976
 BDBM50229741
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](Cc3ccc(C(C)(C)C)cc3)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)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC1=O
 C97H156N34O19S3
2198.735000		 BHUBQFQUBLVLCI-YQNYRYSNSA-N P00748 Coagulation factor XII
BindingDB
BindingDB:BDBM50229741
 Local ready
Direct docking supported
E3L048977
BDB048977
 BDBM50229742
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](Cc3ccc(-c4ccccc4)cc3)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)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC1=O
 C99H152N34O19S3
2218.725000		 MUGUFZQUZLPAPP-CTXPUWHKSA-N P00748 Coagulation factor XII
BindingDB
BindingDB:BDBM50229742
 Local ready
Direct docking supported
E3L048978
BDB048978
 BDBM50229743
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](Cc3ccc4ccccc4c3)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)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC1=O
 C97H150N34O19S3
2192.687000		 WGDLYTYYBVYNGF-IBIYWHNXSA-N P00748 Coagulation factor XII
BindingDB
BindingDB:BDBM50229743
 Local ready
Direct docking supported
E3L048979
BDB048979
 BDBM50229744
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](Cc3csc4ccccc34)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)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC1=O
 C95H148N34O19S4
2198.716000		 XOYNYWSBYRIQSE-WDMUSLQMSA-N P00748 Coagulation factor XII
BindingDB
BindingDB:BDBM50229744
 Local ready
Direct docking supported
E3L048980
BDB048980
 BDBM50229745
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](Cc3c[nH]c4ccc(O)cc34)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)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC1=O
 C95H149N35O20S3
2197.663000		 PRVMIKPFNLERNA-RGSFIUJSSA-N P00748 Coagulation factor XII
BindingDB
BindingDB:BDBM50229745
 Local ready
Direct docking supported