| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L065927
LIG000497
|
GS-9681
CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C1CCCCC1
|
C33H44N4O4 560.739000 |
GUOVHJVNYPRNQS-SHUILBLCSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP |
BindingDB, e3_ligand
BindingDB:BDBM13176; e3_ligand:49
|
Local ready
Direct docking supported
|
|
E3L065928
LIG000498
|
LIG000498
CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C1CCCCC1
|
C33H44N4O4 560.739000 |
GUOVHJVNYPRNQS-SHUILBLCSA-N | P98170 | - |
e3_ligand
e3_ligand:49
|
Local ready
Direct docking supported
|
|
E3L065929
LIG000499
|
LIG000499
CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](Oc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C1CCCCC1
|
C33H44N4O4 560.739000 |
GUOVHJVNYPRNQS-XIKYZZKVSA-N | P98170 | - |
e3_ligand
e3_ligand:50
|
Local ready
Direct docking supported
|
|
E3L065930
LIG000500
|
32
O=C1CCC(N2C(=O)c3ccc(N4CCC(F)(F)C4)cc3C2=O)C(=O)N1
|
C17H15F2N3O4 363.320000 |
GUPQMVVQTAIBKG-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1005
|
Local ready
Direct docking supported
|
|
E3L065931
LIG000501
|
LYG-411
Cc1cccc2c1C=C(C(=O)NCc1ccc3c(c1)CN(C1CCC(=O)NC1=O)C3=O)CO2
|
C25H23N3O5 445.475000 |
GUUBIKKETZNEJJ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1354
|
Local ready
Direct docking supported
|
|
E3L065932
LIG000502
|
20a
O=C1CCC(N2C(=O)c3cccc(C4=C[C@]4(C(=O)OCC(Cl)(Cl)Cl)c4ccc(Br)cc4)c3C2=O)C(=O)N1
|
C25H16BrCl3N2O6 626.674000 |
GVMYAADQINSFHD-UCSBTNPJSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB973
|
Local ready
Direct docking supported
|
|
E3L065933
LIG000503
|
compound 4
O=C1CCC(n2cc(-c3cccs3)nn2)C(=O)N1
|
C11H10N4O2S 262.294000 |
GVPCOFMAPDQIMI-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1045
|
Local ready
Direct docking supported
|
|
E3L065935
LIG000505
|
ZZ7-16-070
CC(C)S(=O)(=O)c1ccccc1Nc1nc(N[C@@H]2CCCN(C(=O)c3ccncn3)C2)ncc1Cl
|
C23H26ClN7O3S 516.027000 |
GWBZFVVTWMAQEK-MRXNPFEDSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB170
|
Local ready
Direct docking supported
|
|
E3L065936
LIG000506
|
D4
O=c1c(-c2ccccc2)cn(Cc2ccccc2)c(=O)n1Cc1ccccc1
|
C24H20N2O2 368.436000 |
GWHJFOOJHFJBHW-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB889
|
Local ready
Direct docking supported
|
|
E3L065937
LIG000507
|
52
Cc1noc(C)c1-c1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
|
C18H15N3O5 353.334000 |
GWTXEPYIJUYUBD-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB421
|
Local ready
Direct docking supported
|
|
E3L065938
LIG000508
|
32
COc1ccc(C(C)(C)c2cc(Cl)c(OCC3CCN(C(=O)CCCCNc4ccc(C(=O)N[C@H]5CCC(=O)NC5=O)c(F)c4)CC3)c(C#N)c2)cc1
|
C40H45ClFN5O6 746.280000 |
GXBOVPUBAMPDLJ-UMSFTDKQSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1563
|
Local ready
Direct docking supported
|
|
E3L065939
LIG000509
|
63
COc1ccc2cccc(CC(=O)Nc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)c2c1
|
C26H23N3O5 457.486000 |
GXJUZUWLUQFMSB-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB737
|
Local ready
Direct docking supported
|
|
E3L065940
LIG000510
|
19
O=C1CCC(N2C(=O)c3cccc(N4CCCCC4)c3C2=O)C(=O)N1
|
C18H19N3O4 341.367000 |
GXLMQGTZIWFZLM-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1029
|
Local ready
Direct docking supported
|
|
E3L065941
LIG000511
|
BI-3802
CNC(=O)COc1cc2cc(Nc3nc(N4C[C@H](C)C[C@H](C)C4)ncc3Cl)ccc2n(C)c1=O
|
C24H29ClN6O3 484.988000 |
GXTJETQFYHZHNB-GASCZTMLSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, MolGlueDB
BindingDB:BDBM50545525; MolGlueDB:MGDB1290
|
Local ready
Direct docking supported
|
|
E3L065943
LIG000513
|
NE-006
Nc1ccc(F)c2c1CN(C1CCC(=O)NC1=O)C2=O
|
C13H12FN3O3 277.255000 |
GXZGESNBBBAQLB-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB804
|
Local ready
Direct docking supported
|
|
E3L065944
LIG000514
|
EM12-SO2Tr2
O=C1CCC(N2Cc3ccc(S(=O)(=O)n4cncn4)cc3C2=O)C(=O)N1
|
C15H13N5O5S 375.366000 |
GYSXFSKJGFNFSL-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, MolGlueDB
BindingDB:BDBM50630770; MolGlueDB:MGDB1254
|
Local ready
Direct docking supported
|
|
E3L065945
LIG000515
|
33
CC[C@H](CO)Nc1nc(NCc2ccc(Br)cc2)c2ncn(C(C)C)c2n1
|
C19H25BrN6O 433.354000 |
GYWZJUZWAKHTLQ-OAHLLOKOSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB191
|
Local ready
Direct docking supported
|
|
E3L065946
LIG000516
|
Z5000147208
CCn1nccc1S(=O)(=O)Nc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O
|
C18H19N5O5S 417.447000 |
GZAZQMXYUFCTCW-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB485
|
Local ready
Direct docking supported
|
|
E3L065947
LIG000517
|
24
O=C1CCC(N2C(=O)c3cccc(N4CC5(COC5)C4)c3C2=O)C(=O)N1
|
C18H17N3O5 355.350000 |
GZJHXBSTBIPXEV-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1025
|
Local ready
Direct docking supported
|
|
E3L065948
LIG000518
|
DS54
Cn1cc(-n2cnc3c(NCc4nc5cc(O)ccc5[nH]4)nc(N4CCOCC4)nc32)cn1
|
C21H22N10O2 446.475000 |
GZMVERBWGFNOMK-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1611
|
Local ready
Direct docking supported
|