| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L066548
LIG001118
|
22c
Cc1ccc(NC(=O)NCc2ccc3nnn(C4CCC(=O)NC4=O)c(=O)c3c2)cc1
|
C21H20N6O4 420.429000 |
OVGJPTOOJQLTTA-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB352
|
Local ready
Direct docking supported
|
|
E3L066549
LIG001119
|
HQ016
CSc1ccccc1NC(=O)Cc1csc(Nc2cccc(C)n2)n1
|
C18H18N4OS2 370.503000 |
OVXLWXBZGNEVJT-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB756
|
Local ready
Direct docking supported
|
|
E3L066550
LIG001120
|
14
O=C1CCC(N2Cc3cc(NCc4cc5ccccc5cn4)ccc3C2=O)C(=O)N1
|
C23H20N4O3 400.438000 |
OWDWMVCSXWZXOW-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1228
|
Local ready
Direct docking supported
|
|
E3L066551
LIG001121
|
LIG001121
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CC(=O)NC1=O
|
C13H15N3O4 277.280000 |
OWDXOIJDIWSKBK-UWVGGRQHSA-N | Q96SW2 | - |
e3_ligand
e3_ligand:124
|
Local ready
Direct docking supported
|
|
E3L066552
LIG001122
|
WBC100
CC(C)[C@@H](N)C(=O)O[C@@H]1[C@@]2(C(C)C)O[C@H]2[C@@H]2O[C@]23[C@]12O[C@H]2C[C@H]1C2=C(CC[C@@]13C)C(=O)OC2
|
C25H33NO7 459.539000 |
OWLJDBBFRJXPGM-VBIGTWTASA-N | - | - |
MolGlueDB
MolGlueDB:MGDB129
|
Local ready
Direct docking supported
|
|
E3L066553
LIG001123
|
QXG-131-9
O=C1CCC(N2Cc3cc(NC(=O)c4cn5cc(F)ccc5n4)ccc3C2=O)C(=O)N1
|
C21H16FN5O4 421.388000 |
OWPGCXVVCWDQJC-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1065
|
Local ready
Direct docking supported
|
|
E3L066555
LIG001125
|
EN450
C=CC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl
|
C11H13ClN2O3S 288.756000 |
OXFXDOLAQBMOPH-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB34
|
Local ready
Direct docking supported
|
|
E3L066556
LIG001126
|
5
CC(C)(O)c1cc2nn(CCCCCCCCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
|
C39H42F3N7O6 761.802000 |
OXMXTNDWZBEXAL-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, MolGlueDB
BindingDB:BDBM50639833; MolGlueDB:MGDB126
|
Local ready
Direct docking supported
|
|
E3L066557
LIG001127
|
LIG001127
CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C)c1ccc(C#N)cc1)C(C)(C)C
|
C22H30N4O4 414.506000 |
OXUULQVWMAOYDZ-NUDXDXSLSA-N | P40337 | - |
e3_ligand
e3_ligand:18
|
Local ready
Direct docking supported
|
|
E3L066558
LIG001128
|
LIG001128
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc(F)c3ccccc23)cs1)C1CCCCC1
|
C29H35FN4O2S 522.690000 |
OXVDUVSHCWCOFU-ATANMQQVSA-N | P98170, Q96CA5 | Baculoviral IAP repeat-containing protein 7, E3 ubiquitin-protein ligase XIAP |
BindingDB, e3_ligand
BindingDB:BDBM50314450; e3_ligand:52
|
Local ready
Direct docking supported
|
|
E3L066559
LIG001129
|
13
O=C1CCC(Oc2ccccc2)C(=O)N1
|
C11H11NO3 205.213000 |
OXYRJECCEIXMTM-UHFFFAOYSA-N | Q16531, Q96SW2 | Protein cereblon, DNA damage-binding protein 1 |
BindingDB, e3_ligand, MolGlueDB
BindingDB:BDBM575330; e3_ligand:131; MolGlueDB:MGDB896
|
Local ready
Direct docking supported
|
|
E3L066560
LIG001130
|
LC-04-046
Cc1ccccc1-c1ccccc1CN1CCn2c(-c3ccc4c(c3)CN([C@H]3CCC(=O)NC3=O)C4=O)cnc2C1
|
C33H31N5O3 545.643000 |
OYANTSPKLCJIMO-NDEPHWFRSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1271
|
Local ready
Direct docking supported
|
|
E3L066561
LIG001131
|
Lib-C-18B
CN1C(=O)CCC(N2Cc3cc(-c4ccc(OCC(=O)N/N=C/c5c(Cl)ccc(C(F)(F)F)c5Cl)cc4)ccc3C2=O)C1=O
|
C30H23Cl2F3N4O5 647.437000 |
OYTYRYGTKYYXOE-FIFHTESVSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB540
|
Local ready
Direct docking supported
|
|
E3L066562
LIG001132
|
DS51
CC(C)n1cnc2c(NCc3ccc(-c4ccccn4)cc3)nc(NCCCCCC(=O)N[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)nc21
|
C32H42N8O6 634.738000 |
OYVSPKVCCMVGLP-BGXVWEPQSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1604
|
Local ready
Direct docking supported
|
|
E3L066563
LIG001133
|
CC3
O=C1c2cccc(OCCOCCOCCOCc3ccccc3)c2C(=O)N1C1CCCCC1
|
C27H33NO6 467.562000 |
OZCBGPWGOMVJHV-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB894
|
Local ready
Direct docking supported
|
|
E3L066564
LIG001134
|
BC
CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12
|
C32H40BrN5O5 654.606000 |
OZVBMTJYIDMWIL-AYFBDAFISA-N | - | - |
MolGlueDB
MolGlueDB:MGDB134
|
Local ready
Direct docking supported
|
|
E3L066565
LIG001135
|
47
Cc1ccc(NC(=O)NCc2ccc(C3CCC(=O)NC3=O)cc2)cc1Cl
|
C20H20ClN3O3 385.851000 |
OZXPYGFCMJVQLS-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB346
|
Local ready
Direct docking supported
|
|
E3L066566
LIG001136
|
Galeterone
C[C@]12CC[C@H](O)CC1=CCC1C2CC[C@]2(C)C(n3cnc4ccccc43)=CCC12
|
C26H32N2O 388.555000 |
PAFKTGFSEFKSQG-BLYLLKCRSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB21
|
Local ready
Direct docking supported
|
|
E3L066567
LIG001137
|
7b
CC(O)(C#Cc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O)c1ccccc1
|
C23H20N2O4 388.423000 |
PAHOKKSJNGCKLM-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1374
|
Local ready
Direct docking supported
|
|
E3L066568
LIG001138
|
DS06
CCCCCCCCNc1nc(N[C@H](CC)CO)nc2c1ncn2C(C)C
|
C20H36N6O 376.549000 |
PBCJJKFPGZLSLZ-MRXNPFEDSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB440
|
Local ready
Direct docking supported
|