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
E3L042241
BDB042241
 BDBM783244
C[C@H]1CC[C@H](CN2CCO[C@H](COc3cccc(-c4ccc(OC[C@@H]5CN(C[C@H]6CN[C@H](C)CN6CC(=O)N6CC(C)(C)C7NC(=O)C(Cc8ccc(F)cc8)CC76)CCO5)cc4)c3)C2)N(CC(=O)C2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)C1
 C72H92F2N8O8
1235.572000		 FXCDAZSDVFXSTK-JXVGXXNGSA-N Q13490 Baculoviral IAP repeat-containing protein 2
BindingDB
BindingDB:BDBM783244
 Local ready
Direct docking supported
E3L042242
BDB042242
 BDBM783245
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCO[C@H](COc3ccc(Cc4ccc(OC[C@@H]5CN(C[C@H]6CN[C@H](C)CN6CC(=O)N6CC(C)(C)c7[nH]c(=O)c(Cc8ccc(F)cc8)cc76)CCO5)cc4)cc3)C2)CN1
 C71H88F2N10O8
1247.543000		 WQPOFEXAHHLPPZ-YBVNTABTSA-N Q13490 Baculoviral IAP repeat-containing protein 2
BindingDB
BindingDB:BDBM783245
 Local ready
Direct docking supported
E3L042243
BDB042243
 BDBM783246
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCO[C@H](COc3ccc(C(=O)c4ccc(OC[C@@H]5CN(C[C@H]6CN[C@H](C)CN6CC(=O)N6CC(C)(C)c7[nH]c(=O)c(Cc8ccc(F)cc8)cc76)CCO5)cc4)cc3)C2)CN1
 C71H86F2N10O9
1261.526000		 AQRBBZHLTUPXSW-QJWHFQBBSA-N Q13490 Baculoviral IAP repeat-containing protein 2
BindingDB
BindingDB:BDBM783246
 Local ready
Direct docking supported
E3L042244
BDB042244
 BDBM783247
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCO[C@H](CCc3ccc(Cc4ccc(OC[C@@H]5CN(C[C@H]6CN[C@H](C)CN6CC(=O)N6CC(C)(C)c7[nH]c(=O)c(Cc8ccc(F)cc8)cc76)CCO5)cc4)cc3)C2)CN1
 C72H90F2N10O7
1245.571000		 OSBFXXIGAGFYIB-ACAWOLSDSA-N Q13490 Baculoviral IAP repeat-containing protein 2
BindingDB
BindingDB:BDBM783247
 Local ready
Direct docking supported
E3L042245
BDB042245
 BDBM783248
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCO[C@H](COc3ccc(C(C)(C)c4ccc(OC[C@@H]5CN(C[C@H]6CN[C@H](C)CN6CC(=O)N6CC(C)(C)c7[nH]c(=O)c(Cc8ccc(F)cc8)cc76)CCO5)cc4)cc3)C2)CN1
 C73H92F2N10O8
1275.597000		 FODQZTRPMIIWMU-JKWFQTGJSA-N Q13490 Baculoviral IAP repeat-containing protein 2
BindingDB
BindingDB:BDBM783248
 Local ready
Direct docking supported
E3L042246
BDB042246
 BDBM783249
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCO[C@H](COc3ccc(S(=O)(=O)c4ccc(OC[C@@H]5CN(C[C@H]6CN[C@H](C)CN6CC(=O)N6CC(C)(C)c7[nH]c(=O)c(Cc8ccc(F)cc8)cc76)CCO5)cc4)cc3)C2)CN1
 C70H86F2N10O10S
1297.581000		 ONCBGHDSGKQOJU-XDWHOTOFSA-N Q13490 Baculoviral IAP repeat-containing protein 2
BindingDB
BindingDB:BDBM783249
 Local ready
Direct docking supported
E3L042247
BDB042247
 BDBM783250
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCO[C@H](COc3ccc(CCc4ccc(OC[C@@H]5CN(C[C@H]6CN[C@H](C)CN6CC(=O)N6CC(C)(C)c7[nH]c(=O)c(Cc8ccc(F)cc8)cc76)CCO5)cc4)cc3)C2)CN1
 C72H90F2N10O8
1261.570000		 ITLTWVMRMLTELG-JKWFQTGJSA-N Q13490 Baculoviral IAP repeat-containing protein 2
BindingDB
BindingDB:BDBM783250
 Local ready
Direct docking supported
E3L042248
BDB042248
 BDBM783251
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCO[C@H](COc3ccc(C(=O)C(=O)c4ccc(OC[C@@H]5CN(C[C@H]6CN[C@H](C)CN6CC(=O)N6CC(C)(C)c7[nH]c(=O)c(Cc8ccc(F)cc8)cc76)CCO5)cc4)cc3)C2)CN1
 C72H86F2N10O10
1289.536000		 PGUMJFKUGDRUQN-QJWHFQBBSA-N Q13490 Baculoviral IAP repeat-containing protein 2
BindingDB
BindingDB:BDBM783251
 Local ready
Direct docking supported
E3L042249
BDB042249
 BDBM783252
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCO[C@H](COc3ccc(Oc4cccc(Oc5ccc(OC[C@@H]6CN(C[C@H]7CN[C@H](C)CN7CC(=O)N7CC(C)(C)c8[nH]c(=O)c(Cc9ccc(F)cc9)cc87)CCO6)cc5)c4)cc3)C2)CN1
 C76H90F2N10O10
1341.612000		 YQLHMPVQUQDZDE-USRWFJMXSA-N Q13490 Baculoviral IAP repeat-containing protein 2
BindingDB
BindingDB:BDBM783252
 Local ready
Direct docking supported
E3L042250
BDB042250
 BDBM783253
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCO[C@H](COc3ccc(C(C)(C)c4cccc(C(C)(C)c5ccc(OC[C@@H]6CN(C[C@H]7CN[C@@H](C)CN7CC(=O)N7CC(C)(C)c8[nH]c(=O)c(Cc9ccc(F)cc9)cc87)CCO6)cc5)c4)cc3)C2)CN1
 C82H102F2N10O8
1393.776000		 ZMXSIKZVGVAZOK-AXJPQLAUSA-N Q13490 Baculoviral IAP repeat-containing protein 2
BindingDB
BindingDB:BDBM783253
 Local ready
Direct docking supported
E3L042251
BDB042251
 BDBM783254
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCO[C@H](COc3ccc(C(C)(C)c4ccc(C(C)(C)c5ccc(OC[C@@H]6CN(C[C@H]7CN[C@H](C)CN7CC(=O)N7CC(C)(C)c8[nH]c(=O)c(Cc9ccc(F)cc9)cc87)CCO6)cc5)cc4)cc3)C2)CN1
 C82H102F2N10O8
1393.776000		 PDCDZONDWCMMEQ-WEIIIVGSSA-N Q13490 Baculoviral IAP repeat-containing protein 2
BindingDB
BindingDB:BDBM783254
 Local ready
Direct docking supported
E3L042252
BDB042252
 BDBM783255
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCO[C@H](COCC#CC#CCOC[C@@H]3CN(C[C@H]4CN[C@H](C)CN4CC(=O)N4CC(C)(C)c5[nH]c(=O)c(Cc6ccc(F)cc6)cc54)CCO3)C2)CN1
 C64H82F2N10O8
1157.418000		 YATQBDXZNGIXOQ-JJFCRLPWSA-N Q13490 Baculoviral IAP repeat-containing protein 2
BindingDB
BindingDB:BDBM783255
 Local ready
Direct docking supported
E3L042253
BDB042253
 BDBM783256
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCO[C@H](COCCCCCCOC[C@@H]3CN(C[C@H]4CN[C@H](C)CN4CC(=O)N4CC(C)(C)c5[nH]c(=O)c(Cc6ccc(F)cc6)cc54)CCO3)C2)CN1
 C64H90F2N10O8
1165.482000		 WDDBSLKKOUVEOO-JJFCRLPWSA-N Q13490 Baculoviral IAP repeat-containing protein 2
BindingDB
BindingDB:BDBM783256
 Local ready
Direct docking supported
E3L042254
BDB042254
 BDBM783257
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCO[C@H](CCCc3ccc(COC[C@@H]4CN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6[nH]c(=O)c(Cc7ccc(F)cc7)cc65)CCO4)cc3)C2)CN1
 C67H88F2N10O7
1183.500000		 JOLPINQANFDBCZ-IWICDURVSA-N Q13490 Baculoviral IAP repeat-containing protein 2
BindingDB
BindingDB:BDBM783257
 Local ready
Direct docking supported
E3L042255
BDB042255
 BDBM783258
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCO[C@H](COc3ccccc3Cc3ccccc3OC[C@@H]3CN(C[C@H]4CN[C@H](C)CN4CC(=O)N4CC(C)(C)c5[nH]c(=O)c(Cc6ccc(F)cc6)cc54)CCO3)C2)CN1
 C71H88F2N10O8
1247.543000		 XMXBRAIMWHXDCQ-DQQJNVBNSA-N Q13490 Baculoviral IAP repeat-containing protein 2
BindingDB
BindingDB:BDBM783258
 Local ready
Direct docking supported
E3L042256
BDB042256
 BDBM783259
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCN[C@H](COc3ccccc3-c3ccccc3OC[C@@H]3CN(C[C@H]4CN[C@H](C)CN4CC(=O)N4CC(C)(C)c5[nH]c(=O)c(Cc6ccc(F)cc6)cc54)CCO3)C2)CN1
 C70H87F2N11O7
1232.532000		 WTDHJRKPBQPVEP-KRVSWUOQSA-N Q13490 Baculoviral IAP repeat-containing protein 2
BindingDB
BindingDB:BDBM783259
 Local ready
Direct docking supported
E3L042257
BDB042257
 BDBM783260
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCO[C@H](COc3ccccc3Oc3ccccc3OC[C@@H]3CN(C[C@H]4CN[C@H](C)CN4CC(=O)N4CC(C)(C)c5[nH]c(=O)c(Cc6ccc(F)cc6)cc54)CCO3)C2)CN1
 C70H86F2N10O9
1249.515000		 OXSQRSKOFVURPB-JGTIFPSXSA-N Q13490 Baculoviral IAP repeat-containing protein 2
BindingDB
BindingDB:BDBM783260
 Local ready
Direct docking supported
E3L042258
BDB042258
 BDBM783261
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCO[C@H](COc3cccc(OC[C@@H]4CN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6[nH]c(=O)c(Cc7ccc(F)cc7)cc65)CCO4)c3)C2)CN1
 C64H82F2N10O8
1157.418000		 MYOKHRUTGIGVCF-AEZFHRCYSA-N Q13490 Baculoviral IAP repeat-containing protein 2
BindingDB
BindingDB:BDBM783261
 Local ready
Direct docking supported
E3L042259
BDB042259
 BDBM783262
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCO[C@H](COc3ccc(OC[C@@H]4CN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6[nH]c(=O)c(Cc7ccc(F)cc7)cc65)CCO4)cc3)C2)CN1
 C64H82F2N10O8
1157.418000		 VGRNEEBKKHFIAK-AEZFHRCYSA-N Q13490 Baculoviral IAP repeat-containing protein 2
BindingDB
BindingDB:BDBM783262
 Local ready
Direct docking supported
E3L042260
BDB042260
 BDBM783263
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCO[C@H](COc3ccccc3OC[C@@H]3CN(C[C@H]4CN[C@H](C)CN4CC(=O)N4CC(C)(C)c5[nH]c(=O)c(Cc6ccc(F)cc6)cc54)CCO3)C2)CN1
 C64H82F2N10O8
1157.418000		 JMPRLWFAISUPIX-JNADRZSVSA-N Q13490 Baculoviral IAP repeat-containing protein 2
BindingDB
BindingDB:BDBM783263
 Local ready
Direct docking supported