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
E3L055841
BDB055841
 3'-Hydroxyflavone
O=c1cc(-c2cccc(O)c2)oc2ccccc12
 C15H10O3
238.242000		 ISZWRZGKEWQACU-UHFFFAOYSA-N P09874 Poly [ADP-ribose] polymerase 1
BindingDB, PubChem
BindingDB:BDBM50431165; PubChem:CID229015
 Local ready
Direct docking supported
E3L055842
BDB055842
 BDBM50431213
[C][C@@H]1[N]C(=O)[C@@H]2[C][C][C]N2C(=O)[C@@H]2[C][C][C]N2C(=O)[C@@H]2[C]S[C]c3cc(cc(c3)[C]S[C][C@@H](C(=O)[N][C]C([O])=O)[N]C(=O)[C@H]([C]c3ccc([O])cc3)[N]C1=O)[C]S[C][C@H]([N]C(=O)[C][N])C(=O)[N][C]C(=O)[N][C]C(=O)[N][C@@H]([C][C][C]N=C([N])[N])C(=O)N1[C][C][C][C@H]1C(=O)[N]2
 C59H16N16O15S3
1285.075000		 NPDDURCZQPXQII-PJYANRIDSA-N P00748 Coagulation factor XII
BindingDB
BindingDB:BDBM50431213
 Local ready
Direct docking supported
E3L055843
BDB055843
 BDBM50431215
[C][C@H]([N]C(=O)[C@H]([C]C([N])=O)[N]C(=O)[C@H]([C][S])[N]C(=O)[C@@H]([N])[C][C]C([N])=O)C(=O)[N][C@@H]([C][C][C]N=C([N])[N])C(=O)N1[C][C][C][C@H]1C(=O)[N][C@@H]([C][S])C(=O)N1[C][C][C][C@H]1C(=O)[N][C@@H]([C][O])C(=O)[N][C@@H]([C][O])C(=O)[N][C@@H]([C]c1ccc([O])cc1)C(=O)[N][C@@H]([C][S])C(=O)[N][C@@H]([C][C][C]N=C([N])[N])C([O])=O
 C58H17N21O19S3
1408.103000		 GXPKPAJSCAXASL-LFSSYAHASA-N P00748 Coagulation factor XII
BindingDB
BindingDB:BDBM50431215
 Local ready
Direct docking supported
E3L055844
BDB055844
 BDBM50431216
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@@H](C)O
 C57H89N17O15S3
1348.644000		 VQIXEONPCVIPEX-YMCSAOMISA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50431216; PubChem:CID71718816
 Local ready
Direct docking supported
E3L055845
BDB055845
 BDBM50431217
[C][C]([C])[C][C@H]([N]C(=O)[C@H]([C][S])[N]C(=O)[C@H]([C]c1ccc([O])cc1)[N]C(=O)[C@@H]([N]C(=O)[C@H]([C][C]C([N])=O)[N]C(=O)[C@@H]1[C][C][C]N1C(=O)[C@H]([C][S])[N]C(=O)[C@@H]1[C][C][C]N1C(=O)[C@H]([C][C][C]N=C([N])[N])[N]C(=O)[C@H]([C])[N]C(=O)[C@H]([C]C([O])=O)[N]C(=O)[C@H]([C][S])[N]C(=O)[C@H]([C])[N])[C@@H]([C])[O])C([O])=O
 C59H18N17O19S3
1365.094000		 FTOVZYFMZLVRPD-JHDDENTRSA-N P00748 Coagulation factor XII
BindingDB
BindingDB:BDBM50431217
 Local ready
Direct docking supported
E3L055846
BDB055846
 BDBM50431218
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)O
 C61H96N20O16S3
1461.764000		 ZDDQEDZFEFRPKZ-HDKAIKTRSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50431218; PubChem:CID71716372
 Local ready
Direct docking supported
E3L055847
BDB055847
 BDBM50431219
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(N)=O)C(=O)O
 C61H96N18O15S3
1417.751000		 ZLONQBFTCKHPBT-VYBOCCTBSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50431219; PubChem:CID71718819
 Local ready
Direct docking supported
E3L055848
BDB055848
 BDBM50431220
C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSCc3cc(cc(c3)CSC[C@H](NC(=O)[C@@H](N)CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N3CCC[C@H]3C(=O)N2)CSC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O
 C64H93N17O16S3
1452.752000		 JRYGECRIWPBGKA-YYWSLAFDSA-N P00748 Coagulation factor XII
BindingDB
BindingDB:BDBM50431220
 Local ready
Direct docking supported
E3L055849
BDB055849
 BDBM50431221
[C][C@H]([N]C(=O)[C@@H]1[C][C][C]N1C(=O)[C@@H]1[C][C][C]N1C(=O)[C@H]([C][S])[N]C(=O)[C@@H]1[C][C][C]N1C(=O)[C@H]([C][C][C]N=C([N])[N])[N]C(=O)[C][N]C(=O)[C][N]C(=O)[C@H]([C][S])[N]C(=O)[C@@H]([N])[C][O])C(=O)[N][C@@H]([C]c1ccc([O])cc1)C(=O)[N][C@@H]([C][S])C(=O)[N][C@@H]([C][C][C][C][N])C([O])=O
 C55H15N17O16S3
1266.029000		 WNLWZOGHLFFRSE-HWAWXGHQSA-N P00748 Coagulation factor XII
BindingDB
BindingDB:BDBM50431221
 Local ready
Direct docking supported
E3L055850
BDB055850
 BDBM50431222
[N][C][C][C][C][C@H]([N]C(=O)[C@H]([C][S])[N]C(=O)[C@H]([C]c1ccc([O])cc1)[N]C(=O)[C@H]([C][O])[N]C(=O)[C@@H]1[C][C][C]N1C(=O)[C@@H]1[C][C][C]N1C(=O)[C@H]([C][S])[N]C(=O)[C@H]([C][C][C]N=C([N])[N])[N]C(=O)[C@H]([C][C][C]N=C([N])[N])[N]C(=O)[C][N]C(=O)[C@H]([C][O])[N]C(=O)[C@H]([C][S])[N]C(=O)[C@@H]([N])[C][O])C([O])=O
 C57H16N20O18S3
1365.078000		 WJNGKJPHSAGLMF-SWELWFFMSA-N P00748 Coagulation factor XII
BindingDB
BindingDB:BDBM50431222
 Local ready
Direct docking supported
E3L055851
BDB055851
 BDBM50431223
[C]S[C][C][C@H]([N]C(=O)[C@@H]1[C][C][C]N1C(=O)[C@H]([C][S])[N]C(=O)[C@@H]1[C][C][C]N1C(=O)[C@H]([C][C][C]N=C([N])[N])[N]C(=O)[C][N]C(=O)[C@H]([C][C]([C])[C])[N]C(=O)[C@H]([C][S])[N]C(=O)[C][N])C(=O)[N][C@@H]([C])C(=O)[N][C@@H]([C]c1ccc([O])cc1)C(=O)[N][C@@H]([C][S])C(=O)[N][C@@H]([C][O])C([O])=O
 C55H15N16O16S4
1284.089000		 KLAWTWRBLIXYGO-HWAWXGHQSA-N P00748 Coagulation factor XII
BindingDB
BindingDB:BDBM50431223
 Local ready
Direct docking supported
E3L055852
BDB055852
 BDBM50431224
[C]S[C][C][C@H]([N]C(=O)[C@H]([C][S])[N]C(=O)[C][N])C(=O)[N][C]C(=O)[N][C@@H]([C][C][C]N=C([N])[N])C(=O)N1[C][C][C][C@H]1C(=O)[N][C@@H]([C][S])C(=O)N1[C][C][C][C@H]1C(=O)[N][C@@H]([C]([C])[C])C(=O)[N][C@@H]([C][O])C(=O)[N][C@@H]([C]c1ccc([O])cc1)C(=O)[N][C@@H]([C][S])C(=O)[N][C@@H]([C]c1ccccc1)C([O])=O
 C60H20N16O16S4
1349.184000		 AIZUSLBNOSLMOX-UKBPAYCISA-N P00748 Coagulation factor XII
BindingDB
BindingDB:BDBM50431224
 Local ready
Direct docking supported
E3L055853
BDB055853
 BDBM50431225
[C][C]([C])[C][C@H]([N]C(=O)[C@H]([C][C][C]N=C([N])[N])[N]C(=O)[C@H]([C]c1ccccc1)[N]C(=O)[C@H]([C])[N]C(=O)[C@H]([C][S])[N]C(=O)[C][N]C(=O)[C@H]([C][C]C([N])=O)[N]C(=O)[C@@H]([N]C(=O)[C@@H]([N]C(=O)[C@H]([C][S])[N]C(=O)[C@@H]([N])[C@@H]([C])[O])[C@@H]([C])[O])[C@@H]([C])[O])C(=O)[N][C@@H]([C][S])C(=O)[N][C@@H]([C][O])C([O])=O
 C55H20N17O19S3
1319.066000		 CFJKRLPIIARGSI-YTBIUMBYSA-N P00748 Coagulation factor XII
BindingDB
BindingDB:BDBM50431225
 Local ready
Direct docking supported
E3L055854
BDB055854
 BDBM50431226
CC(C)[C@H](N)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)O)C(C)C
 C74H106N20O15S3
1611.988000		 UQJJFGSTWVWOKQ-RNSVJONMSA-N P00748 Coagulation factor XII
BindingDB, PubChem
BindingDB:BDBM50431226; PubChem:CID71718817
 Local ready
Direct docking supported
E3L055855
BDB055855
 BDBM50431519
CC(C)(O)c1ccc(-c2cnc3c(n2)N(CC2CCOCC2)CC(=O)N3)cn1
 C20H25N5O3
383.452000		 UWUPKVZQISLSSA-UHFFFAOYSA-N Q9BVC4 Target of rapamycin complex subunit LST8
BindingDB, PubChem
BindingDB:BDBM50431519; PubChem:CID58298312
 Local ready
Direct docking supported
E3L055856
BDB055856
 BDBM50431520
CC(C)(O)c1ccc(-c2cnc3[nH]c(=O)n(CC4CCOCC4)c3n2)cn1
 C19H23N5O3
369.425000		 WVFYKPHMSAZPQO-UHFFFAOYSA-N Q9BVC4 Target of rapamycin complex subunit LST8
BindingDB, PubChem
BindingDB:BDBM50431520; PubChem:CID24983749
 Local ready
Direct docking supported
E3L055857
BDB055857
 BDBM50431521
O=C1CN(CCC2CCOCC2)c2nc(-c3ccc(-c4nnc[nH]4)cc3)cnc2N1
 C21H23N7O2
405.462000		 MLNSAGOBCFMEKI-UHFFFAOYSA-N Q9BVC4 Target of rapamycin complex subunit LST8
BindingDB, PubChem
BindingDB:BDBM50431521; PubChem:CID59453078
 Local ready
Direct docking supported
E3L055858
BDB055858
 BDBM50431522
O=c1[nH]c2ncc(-c3ccc(-c4nnc[nH]4)cc3)nc2n1CCC1CCOCC1
 C20H21N7O2
391.435000		 FFGUSRSMWFYKGK-UHFFFAOYSA-N Q9BVC4 Target of rapamycin complex subunit LST8
BindingDB, PubChem
BindingDB:BDBM50431522; PubChem:CID66699750
 Local ready
Direct docking supported
E3L055859
BDB055859
 BDBM50432328
CCCN1CCCC(c2nc3c(C(N)=O)cncc3[nH]2)C1
 C15H21N5O
287.367000		 PNIHPGGKIWNFED-UHFFFAOYSA-N P09874 Poly [ADP-ribose] polymerase 1
BindingDB, PubChem
BindingDB:BDBM50432328; PubChem:CID71580721
 Local ready
Direct docking supported
E3L055860
BDB055860
 BDBM50432329
CC(C)N1CCCC(c2nc3c(C(N)=O)cncc3[nH]2)C1
 C15H21N5O
287.367000		 SMNMTVBRZJZCQG-UHFFFAOYSA-N P09874 Poly [ADP-ribose] polymerase 1
BindingDB, PubChem
BindingDB:BDBM50432329; PubChem:CID71580720
 Local ready
Direct docking supported