| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L066167
LIG000737
|
cmp21
O=C1CCC(N2Cc3c(OCc4ccc(CN5CCN(c6ccccc6)CC5)cc4)cccc3C2=O)C(=O)N1
|
C31H32N4O4 524.621000 |
JPKXBLGZLCXVCV-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1113
|
Local ready
Direct docking supported
|
|
E3L066168
LIG000738
|
20a
O=C1CCC(CS(=O)(=O)c2ccccc2)C(=O)N1
|
C12H13NO4S 267.306000 |
JPOLQZHTTNLNIA-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, MolGlueDB
BindingDB:BDBM50625141; MolGlueDB:MGDB932
|
Local ready
Direct docking supported
|
|
E3L066169
LIG000739
|
C6
CCOC(=O)C1CCCN(C(=O)c2nn(-c3ccc(C)c(C)c3)c(=O)n(Cc3cccc(OC)c3)c2=O)C1
|
C28H32N4O6 520.586000 |
JPTXNBFEVPYCHH-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1436
|
Local ready
Direct docking supported
|
|
E3L066170
LIG000740
|
48
CC(C)(C)OC(=O)N1CC2(C1)CN(c1cc3c(cc1F)C(=O)N(C1CCC(=O)NC1=O)C3=O)C2
|
C23H25FN4O6 472.473000 |
JPZUMDBHKYFTAY-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB104
|
Local ready
Direct docking supported
|
|
E3L066171
LIG000741
|
4
COc1ccc(N)c2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
|
C14H13N3O5 303.274000 |
JQKAGYPIPZUGHW-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1280
|
Local ready
Direct docking supported
|
|
E3L066172
LIG000742
|
21
Nc1cccc2c1cnn2C1CCC(=O)NC1=O
|
C12H12N4O2 244.254000 |
JQUNMWPNAPLWEB-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB827
|
Local ready
Direct docking supported
|
|
E3L066173
LIG000743
|
TR-893
COc1cc2nc(N3CC=C(c4ccc(C#N)cc4)CC3)[nH]c(=O)c2cc1OC
|
C22H20N4O3 388.427000 |
JSEHWXSZCKKXFO-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB623
|
Local ready
Direct docking supported
|
|
E3L066174
LIG000744
|
cmp16
O=C1CCC(N2Cc3c(OCc4ccc(CN5CCN(c6ccccc6F)CC5)cc4)cccc3C2=O)C(=O)N1
|
C31H31FN4O4 542.611000 |
JSLQVZMJYVNDOU-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1108
|
Local ready
Direct docking supported
|
|
E3L066175
LIG000745
|
27
COc1cc2nn([C@H]3CC[C@H](CN4CC5(CC(CCNc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)C4)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
|
C43H45F3N8O6 826.877000 |
JSUPGKUFXBNOPG-SCXZZJSSSA-N | Q96SW2 | Protein cereblon |
BindingDB, MolGlueDB
BindingDB:BDBM50639851; MolGlueDB:MGDB743
|
Local ready
Direct docking supported
|
|
E3L066176
LIG000746
|
(R,S)-3d
CC(C)(C)NC(=O)[C@H]1c2ccccc2C(=O)N1[C@H]1CCC(=O)NC1=O
|
C18H21N3O4 343.383000 |
JTEPTTKRAXKZIM-GXTWGEPZSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB97
|
Local ready
Direct docking supported
|
|
E3L066177
LIG000747
|
(S,S)-3d
CC(C)(C)NC(=O)[C@@H]1c2ccccc2C(=O)N1[C@H]1CCC(=O)NC1=O
|
C18H21N3O4 343.383000 |
JTEPTTKRAXKZIM-JSGCOSHPSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB94
|
Local ready
Direct docking supported
|
|
E3L066178
LIG000748
|
22e
O=C1CCC(n2nnc3ccc(CNC(=O)Nc4ccccc4)cc3c2=O)C(=O)N1
|
C20H18N6O4 406.402000 |
JTHFJRKOXZSRRF-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB594
|
Local ready
Direct docking supported
|
|
E3L066179
LIG000749
|
42
Cc1ccc(NC(=O)NCc2ccccc2C(=O)NC2CCC(=O)NC2=O)cc1Cl
|
C21H21ClN4O4 428.876000 |
JTJHLVXCCRSPRO-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB354
|
Local ready
Direct docking supported
|
|
E3L066180
LIG000750
|
cmp69
O=C1CCC(N2Cc3c(OCc4ccc(C(=O)N5CCN(c6ccc(F)cc6)CC5)cc4)cccc3C2=O)C(=O)N1
|
C31H29FN4O5 556.594000 |
JTKYSCGXJUZDKJ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1102
|
Local ready
Direct docking supported
|
|
E3L066181
LIG000751
|
WX4
CC[C@H](CO)Nc1nc(NCc2cnc(-c3ccccn3)cc2C2OCCO2)c2ncn(C(C)C)c2n1
|
C26H32N8O3 504.595000 |
JTQIVHHWKGMCSQ-GOSISDBHSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1574
|
Local ready
Direct docking supported
|
|
E3L066182
LIG000752
|
6O
Cn1c(=O)n(C2CCC(=O)NC2=O)c2ccc(Br)cc21
|
C13H12BrN3O3 338.161000 |
JTRNEHBIODAOTJ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB541
|
Local ready
Direct docking supported
|
|
E3L066183
LIG000753
|
ZXH-1-127
O=C1CCC(N2Cc3c(NC(=O)CNc4ccnc(-c5cc6ccccc6o5)n4)cccc3C2=O)C(=O)N1
|
C27H22N6O5 510.510000 |
JUCGWWSMSDVSHT-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, MolGlueDB
BindingDB:BDBM585785; MolGlueDB:MGDB1131
|
Local ready
Direct docking supported
|
|
E3L066184
LIG000754
|
LIG000754
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C
|
C25H38N4O3 442.604000 |
JUJIMRZGUBTJRV-NASSWSRMSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, e3_ligand
BindingDB:BDBM13166; e3_ligand:70
Related BindingDB:BDBM13180; Related BindingDB:BDBM13167
|
Local ready
Direct docking supported
|
|
E3L066185
LIG000755
|
13
COc1ccc(COc2cscc2-c2cn(C3CCC(=O)NC3=O)nn2)cc1
|
C19H18N4O4S 398.444000 |
JVECXQTZSKVUAT-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1306
|
Local ready
Direct docking supported
|
|
E3L066186
LIG000756
|
27
Nc1ccc(C2CCC(=O)NC2=O)cc1
|
C11H12N2O2 204.229000 |
JVJPHIBFEJRVNE-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB802
|
Local ready
Direct docking supported
|