| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L066569
LIG001139
|
dCeMM1-DCAF15
Cc1ccc(S(=O)(=O)N/N=C/c2cc(Br)ccc2O)cc1
|
C14H13BrN2O3S 369.240000 |
PBEIAQYKTXKQGF-CXUHLZMHSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB362
|
Local ready
Direct docking supported
|
|
E3L066570
LIG001140
|
19
CN(CCCO[C@H]1C[C@H](Nc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)C1)C[C@H]1CC[C@H](n2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(C(F)F)cc3n2)CC1
|
C43H45F5N8O6 864.873000 |
PBFNLOLLNOCFFN-VOSGNALJSA-N | Q96SW2 | Protein cereblon |
BindingDB, MolGlueDB
BindingDB:BDBM50639844; MolGlueDB:MGDB522
|
Local ready
Direct docking supported
|
|
E3L066571
LIG001141
|
LIG001141
CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC(C)(C)[C@@H](C(=O)N[C@@H]3CCCc4ccccc43)N2C1=O
|
C25H36N4O4 456.587000 |
PBGOFGSVVXGJCA-KDJJVYBXSA-N | P98170, Q96CA5 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 7 |
BindingDB, e3_ligand
BindingDB:BDBM391831; e3_ligand:59
Related BindingDB:BDBM391805
|
Local ready
Direct docking supported
|
|
E3L066572
LIG001142
|
10
CN(C)c1nc(Cc2ccccc2)nc2[nH]c3cc(-c4nnn(C)n4)ccc3c12
|
C21H20N8 384.447000 |
PCORHTJEYKGPDA-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1418
|
Local ready
Direct docking supported
|
|
E3L066573
LIG001143
|
AKOS018335169
COc1ccccc1N1CCC(=O)NC1=O
|
C11H12N2O3 220.228000 |
PCUUMCBQIMQBTC-UHFFFAOYSA-N | Q96SW2 | - |
e3_ligand
e3_ligand:79
|
Local ready
Direct docking supported
|
|
E3L066574
LIG001144
|
73
O=C1CCC(N2Cc3cc(NC(=O)C4=Cc5ccc(Br)cc5OC4)ccc3C2=O)C(=O)N1
|
C23H18BrN3O5 496.317000 |
PDLMVPIBYOAMMI-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1204
|
Local ready
Direct docking supported
|
|
E3L066575
LIG001145
|
8d
Nc1ccc(C(=O)NC2CCC(=O)NC2=O)c(F)c1
|
C12H12FN3O3 265.244000 |
PDXLABFIWQGDLW-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, MolGlueDB
BindingDB:BDBM50630593; MolGlueDB:MGDB799
|
Local ready
Direct docking supported
|
|
E3L066576
LIG001146
|
QXG-6471
O=C1CCC(N2C(=O)c3ccc(NC(=O)c4cn5ccccc5n4)cc3C2=O)C(=O)N1
|
C21H15N5O5 417.381000 |
PEGYPANAEKMMQM-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB959
|
Local ready
Direct docking supported
|
|
E3L066578
LIG001148
|
15
O=C1CCC(N2Cc3cc(NCc4ccc5ncccc5c4)ccc3C2=O)C(=O)N1
|
C23H20N4O3 400.438000 |
PEVYOSVZSUUDNA-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1229
|
Local ready
Direct docking supported
|
|
E3L066579
LIG001149
|
20b
O=C1CCC(N2C(=O)c3cccc(C4=C[C@@]4(COOCC(Cl)(Cl)Cl)c4ccc(Br)cc4)c3C2=O)C(=O)N1
|
C25H18BrCl3N2O6 628.690000 |
PEXVJXROJKUUCZ-VCUSLETLSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB972
|
Local ready
Direct docking supported
|
|
E3L066580
LIG001150
|
CU-0906
COc1cc2[nH]c(CNc3nc(N4CCOCC4)nc4c3ncn4-c3cnn(C)c3)nc2cc1Cl
|
C22H23ClN10O2 494.947000 |
PFLWENDTYLYORX-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB618
|
Local ready
Direct docking supported
|
|
E3L066581
LIG001151
|
15a
O=C1CCC(N2Cc3cc([C@@H]4C[C@]4(C(=O)OCC(Cl)(Cl)Cl)c4ccc(Br)cc4)ccc3C2=O)C(=O)N1
|
C25H20BrCl3N2O5 614.707000 |
PFPPFUYFOLLWSU-GZODMWGESA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1159
|
Local ready
Direct docking supported
|
|
E3L066582
LIG001152
|
DS73
Cc1cc2nc(CNc3nc(N4CCN(C)CC4)nc4c(Br)cnn34)[nH]c2cc1C
|
C20H24BrN9 470.379000 |
PGDRKKXMPSPTSV-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1614
|
Local ready
Direct docking supported
|
|
E3L066583
LIG001153
|
TMX-4100
O=C1CCC(n2cc(-c3ccsc3)nn2)C(=O)N1
|
C11H10N4O2S 262.294000 |
PGEUBQZQGXWTFO-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1049
|
Local ready
Direct docking supported
|
|
E3L066585
LIG001155
|
22r
CC(C)(C)c1ccc(NC(=O)NCc2ccc3nnn(C4CCC(=O)NC4=O)c(=O)c3c2)cc1Cl
|
C24H25ClN6O4 496.955000 |
PGKOQHQTSGYIEZ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB87
|
Local ready
Direct docking supported
|
|
E3L066586
LIG001156
|
14j
O=C1CCC(CSc2cccc([N+](=O)[O-])c2)C(=O)N1
|
C12H12N2O4S 280.305000 |
PGPDPHWWUDYFET-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, MolGlueDB
BindingDB:BDBM50625128; MolGlueDB:MGDB938
|
Local ready
Direct docking supported
|
|
E3L066587
LIG001157
|
11
Cc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)cc1
|
C21H19N3O4 377.400000 |
PGSLSLNXMKCQFN-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB321
|
Local ready
Direct docking supported
|
|
E3L066588
LIG001158
|
LIG001158
NC(=O)CC[C@H](N)C(=O)N[C@H]1CC(=O)NC1=O
|
C9H14N4O4 242.235000 |
PGTYVWGXAMORPZ-WHFBIAKZSA-N | Q96SW2 | - |
e3_ligand
e3_ligand:116
|
Local ready
Direct docking supported
|
|
E3L066589
LIG001159
|
40
O=C1CCC(N2Cc3cc(NC(=O)c4ccc5cc(O)ccc5c4)ccc3C2=O)C(=O)N1
|
C24H19N3O5 429.432000 |
PIJSUKFVTTZUBA-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1206
|
Local ready
Direct docking supported
|
|
E3L066590
LIG001160
|
Dinaciclib
CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCC[C@H]3CCO)nc12
|
C21H28N6O2 396.495000 |
PIMQWRZWLQKKBJ-SFHVURJKSA-N | P51948 | Cyclin-H |
BindingDB, MolGlueDB
BindingDB:BDBM50139171; MolGlueDB:MGDB1624
|
Local ready
Direct docking supported
|