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
E3L042361
BDB042361
 BDBM783364
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(Cl)cc4C(=O)N(C)C)cc32)[C@@H](CN2CCO[C@H](C(=O)NCc3ccc(CNC(=O)[C@@H]4CN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6[nH]c(=O)c(Cc7ccc(Cl)cc7C(=O)N(C)C)cc65)CCO4)cc3)C2)CN1
 C72H94Cl2N14O10
1386.538000		 OJBPFHAKRFAWQQ-DLVQFBEISA-N Q13490 Baculoviral IAP repeat-containing protein 2
BindingDB
BindingDB:BDBM783364
 Local ready
Direct docking supported
E3L042362
BDB042362
 BDBM783365
CC(C)c1ccccc1Cc1cc2c([nH]c1=O)C(C)(C)CN2C(=O)CN1C[C@@H](C)NC[C@@H]1CN1CCO[C@H](C(=O)NCc2ccc(CNC(=O)[C@@H]3CN(C[C@H]4CN[C@H](C)CN4CC(=O)N4CC(C)(C)c5[nH]c(=O)c(Cc6ccccc6C(C)C)cc54)CCO3)cc2)C1
 C72H98N12O8
1259.652000		 FSWZVCISWMRRRU-QTNLZYCCSA-N Q13490 Baculoviral IAP repeat-containing protein 2
BindingDB
BindingDB:BDBM783365
 Local ready
Direct docking supported
E3L042363
BDB042363
 BDBM783366
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4cc(F)c(F)c(F)c4F)cc32)[C@@H](CN2CCO[C@H](C(=O)NCc3ccc(CNC(=O)[C@@H]4CN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6[nH]c(=O)c(Cc7c(F)c(F)c(F)c(F)c7F)cc65)CCO4)cc3)C2)CN1
 C66H77F9N12O8
1337.400000		 WRNAKUOBGPJORR-RGCAOVSSSA-N Q13490 Baculoviral IAP repeat-containing protein 2
BindingDB
BindingDB:BDBM783366
 Local ready
Direct docking supported
E3L042364
BDB042364
 BDBM783367
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4cc(F)c(F)cc4F)cc32)[C@@H](CN2CCO[C@H](C(=O)NCc3ccc(CNC(=O)[C@@H]4CN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6[nH]c(=O)c(Cc7cc(F)c(F)cc7F)cc65)CCO4)cc3)C2)CN1
 C66H80F6N12O8
1283.430000		 OURIRZQPJCVQHP-SRHZBNBTSA-N Q13490 Baculoviral IAP repeat-containing protein 2
BindingDB
BindingDB:BDBM783367
 Local ready
Direct docking supported
E3L042365
BDB042365
 BDBM783368
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4c(F)c(F)c(F)c(F)c4F)cc32)[C@@H](CN2CCO[C@H](C(=O)NCc3ccc(CNC(=O)[C@@H]4CN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6[nH]c(=O)c(Cc7c(F)c(F)c(F)c(F)c7F)cc65)CCO4)cc3)C2)CN1
 C66H76F10N12O8
1355.390000		 LQWJKRDZCTXKSH-WYSNUCDTSA-N Q13490 Baculoviral IAP repeat-containing protein 2
BindingDB
BindingDB:BDBM783368
 Local ready
Direct docking supported
E3L042366
BDB042366
 BDBM783369
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4F)cc32)[C@@H](CN2CCO[C@H](C(=O)NCc3ccc(CNC(=O)[C@@H]4CN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6[nH]c(=O)c(Cc7ccc(F)cc7F)cc65)CCO4)cc3)C2)CN1
 C66H82F4N12O8
1247.450000		 AGVUHLIJKVFWCO-PLWLMHAKSA-N Q13490 Baculoviral IAP repeat-containing protein 2
BindingDB
BindingDB:BDBM783369
 Local ready
Direct docking supported
E3L042367
BDB042367
 BDBM783370
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)c(F)c4F)cc32)[C@@H](CN2CCO[C@H](C(=O)NCc3ccc(CNC(=O)[C@@H]4CN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6[nH]c(=O)c(Cc7ccc(F)c(F)c7F)cc65)CCO4)cc3)C2)CN1
 C66H80F6N12O8
1283.430000		 PZLNNRAPPWTDHO-WVEHHEECSA-N Q13490 Baculoviral IAP repeat-containing protein 2
BindingDB
BindingDB:BDBM783370
 Local ready
Direct docking supported
E3L042368
BDB042368
 BDBM783371
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4C#N)cc32)[C@@H](CN2CCO[C@H](C(=O)NCc3ccc(CNC(=O)[C@@H]4CN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6[nH]c(=O)c(Cc7ccc(F)cc7C#N)cc65)CCO4)cc3)C2)CN1
 C68H82F2N14O8
1261.490000		 ULWVIURAZADLDH-VMCJDGNGSA-N Q13490 Baculoviral IAP repeat-containing protein 2
BindingDB
BindingDB:BDBM783371
 Local ready
Direct docking supported
E3L042369
BDB042369
 BDBM783372
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4c(Cl)cc(Cl)cc4Cl)cc32)[C@@H](CN2CCO[C@H](C(=O)NCc3ccc(CNC(=O)[C@@H]4CN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6[nH]c(=O)c(Cc7c(Cl)cc(Cl)cc7Cl)cc65)CCO4)cc3)C2)CN1
 C66H80Cl6N12O8
1382.160000		 JZTBWEAWVJJSPC-SRHZBNBTSA-N Q13490 Baculoviral IAP repeat-containing protein 2
BindingDB
BindingDB:BDBM783372
 Local ready
Direct docking supported
E3L042370
BDB042370
 BDBM783373
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Oc4ccc(F)cc4)cc32)[C@@H](CN2CCO[C@H](C(=O)NCc3ccc(CNC(=O)[C@@H]4CN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6[nH]c(=O)c(Oc7ccc(F)cc7)cc65)CCO4)cc3)C2)CN1
 C64H80F2N12O10
1215.414000		 GJUNOVISAFIOKV-URFWBLSOSA-N Q13490 Baculoviral IAP repeat-containing protein 2
BindingDB
BindingDB:BDBM783373
 Local ready
Direct docking supported
E3L042371
BDB042371
 BDBM783374
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Oc4ccc(Cl)cc4)cc32)[C@@H](CN2CCO[C@H](C(=O)NCc3ccc(CNC(=O)[C@@H]4CN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6[nH]c(=O)c(Oc7ccc(Cl)cc7)cc65)CCO4)cc3)C2)CN1
 C64H80Cl2N12O10
1248.324000		 MDHCDJRSCGPLNK-URFWBLSOSA-N Q13490 Baculoviral IAP repeat-containing protein 2
BindingDB
BindingDB:BDBM783374
 Local ready
Direct docking supported
E3L042372
BDB042372
 BDBM783375
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Oc4ccc(Br)cc4)cc32)[C@@H](CN2CCO[C@H](C(=O)NCc3ccc(CNC(=O)[C@@H]4CN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6[nH]c(=O)c(Oc7ccc(Br)cc7)cc65)CCO4)cc3)C2)CN1
 C64H80Br2N12O10
1337.226000		 PKXKHTUWONRIMT-URFWBLSOSA-N Q13490 Baculoviral IAP repeat-containing protein 2
BindingDB
BindingDB:BDBM783375
 Local ready
Direct docking supported
E3L042373
BDB042373
 BDBM783376
Cc1ccc(Oc2cc3c([nH]c2=O)C(C)(C)CN3C(=O)CN2C[C@@H](C)NC[C@@H]2CN2CCO[C@H](C(=O)NCc3ccc(CNC(=O)[C@@H]4CN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6[nH]c(=O)c(Oc7ccc(C)cc7)cc65)CCO4)cc3)C2)cc1
 C66H86N12O10
1207.488000		 ZJEMWUVDGYTMAM-ICGIZDDYSA-N Q13490 Baculoviral IAP repeat-containing protein 2
BindingDB
BindingDB:BDBM783376
 Local ready
Direct docking supported
E3L042374
BDB042374
 BDBM783377
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Oc4ccccc4)cc32)[C@@H](CN2CCO[C@H](C(=O)NCc3ccc(CNC(=O)[C@@H]4CN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6[nH]c(=O)c(Oc7ccccc7)cc65)CCO4)cc3)C2)CN1
 C64H82N12O10
1179.434000		 LQTDGWVVGNUXEV-CCLPDXDJSA-N Q13490 Baculoviral IAP repeat-containing protein 2
BindingDB
BindingDB:BDBM783377
 Local ready
Direct docking supported
E3L042375
BDB042375
 BDBM783378
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccccc4)cc32)[C@@H](CN2CCO[C@H](C(=O)NCc3ccc(CNC(=O)[C@@H]4CN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6[nH]c(=O)c(Cc7ccccc7)cc65)CCO4)cc3)C2)CN1
 C66H86N12O8
1175.490000		 IHXSFOHKFQSXMZ-QXOCEMHNSA-N Q13490 Baculoviral IAP repeat-containing protein 2
BindingDB
BindingDB:BDBM783378
 Local ready
Direct docking supported
E3L042376
BDB042376
 BDBM783379
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(Cl)cc4Cl)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(Cl)cc7Cl)cc65)CCO4)c3)C2)CN1
 C64H80Cl4N10O8
1259.218000		 ITEZCVDAENPOBN-PAEITVHVSA-N Q13490 Baculoviral IAP repeat-containing protein 2
BindingDB
BindingDB:BDBM783379
 Local ready
Direct docking supported
E3L042377
BDB042377
 BDBM783380
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4c(F)cc(F)cc4F)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(Cc7c(F)cc(F)cc7F)cc65)CCO4)c3)C2)CN1
 C64H78F6N10O8
1229.378000		 VIJPULGWZJYSGM-SUGLFCOISA-N Q13490 Baculoviral IAP repeat-containing protein 2
BindingDB
BindingDB:BDBM783380
 Local ready
Direct docking supported
E3L042378
BDB042378
 BDBM783381
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(Cl)cc4C#N)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(Cl)cc7C#N)cc65)CCO4)c3)C2)CN1
 C66H80Cl2N12O8
1240.348000		 DYUYWDILKQQYHS-HJIFXQICSA-N Q13490 Baculoviral IAP repeat-containing protein 2
BindingDB
BindingDB:BDBM783381
 Local ready
Direct docking supported
E3L042379
BDB042379
 BDBM783382
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4F)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)cc7F)cc65)CCO4)c3)C2)CN1
 C64H80F4N10O8
1193.398000		 WFSYDSCHDUKQBN-PAEITVHVSA-N Q13490 Baculoviral IAP repeat-containing protein 2
BindingDB
BindingDB:BDBM783382
 Local ready
Direct docking supported
E3L042380
BDB042380
 US12453731, Example 2
CN1CCN(c2ccc([N+](=O)[O-])cc2Nc2cc(Cl)ncn2)CC1
 C15H17ClN6O2
348.794000		 CRJMNAKUDQZNQC-UHFFFAOYSA-N P61964, Q03164 WD repeat-containing protein 5
BindingDB, PubChem
BindingDB:BDBM783441; PubChem:CID141755812
 Local ready
Direct docking supported