| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L065663
LIG000233
|
69
COc1cc(C(=O)Nc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)ccc1Oc1ccccc1
|
C27H23N3O6 485.496000 |
CUVDVAHHZNRMJJ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB632
|
Local ready
Direct docking supported
|
|
E3L065664
LIG000234
|
7a
O=C1CCC(N2Cc3c(C#CC(O)c4ccccc4)cccc3C2=O)C(=O)N1
|
C22H18N2O4 374.396000 |
CVKGIVCHYYMCFC-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1373
|
Local ready
Direct docking supported
|
|
E3L065665
LIG000235
|
T09
O=C(COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCOCCOCCOCc1ccccc1
|
C28H31N3O9 553.568000 |
CVOQRYBSNADKRQ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB873
|
Local ready
Direct docking supported
|
|
E3L065666
LIG000236
|
Lib-B-13O
O=C(COc1ccccc1-c1cccc2c1CN(C1CCC(=O)NC1=O)C2=O)N/N=C/C=C/c1ccccc1
|
C30H26N4O5 522.561000 |
CVYCHEDCXLGNIN-SGMPITBXSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB866
|
Local ready
Direct docking supported
|
|
E3L065667
LIG000237
|
12
CC[C@H](CO)Nc1nc(NCc2ccc(-c3cccc(C)n3)cc2)c2ncn(C(C)C)c2n1
|
C25H31N7O 445.571000 |
CWJUYHKPITVYET-HXUWFJFHSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB202
|
Local ready
Direct docking supported
|
|
E3L065668
LIG000238
|
HQ014
Cc1cnc(NC(=O)Cc2csc(C(=O)c3cccc(Br)n3)n2)s1
|
C15H11BrN4O2S2 423.317000 |
CWJVDKCZNVXUTE-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB392
|
Local ready
Direct docking supported
|
|
E3L065669
LIG000239
|
L10
CNC(=O)C1CCCN(C(=O)c2nn(-c3ccc(C)c(C)c3)c(=O)n(Cc3ccccc3)c2=O)C1
|
C26H29N5O4 475.549000 |
CWNSAVZIEWMYBG-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB596
|
Local ready
Direct docking supported
|
|
E3L065670
LIG000240
|
DS66
CC[C@H](CO)Nc1nc(NCCCc2ccc(C)c(C)c2)c2ncn(C(C)C)c2n1
|
C23H34N6O 410.566000 |
CWXUALXYQXQCPS-LJQANCHMSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1578
|
Local ready
Direct docking supported
|
|
E3L065671
LIG000241
|
DRF053
CC[C@H](CO)Nc1nc(Nc2ccc(-c3ccccn3)cc2)c2ncn(C(C)C)c2n1
|
C23H27N7O 417.517000 |
CWYPIRLIVVXCBY-QGZVFWFLSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1608
|
Local ready
Direct docking supported
|
|
E3L065673
LIG000243
|
NE-001
O=C1CCC(N2C(=O)c3ccc(F)c(F)c3C2=O)C(=O)N1
|
C13H8F2N2O4 294.213000 |
CYJVVHVIPKRSGH-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, MolGlueDB
BindingDB:BDBM777355; MolGlueDB:MGDB1001
|
Local ready
Direct docking supported
|
|
E3L065674
LIG000244
|
8a
COc1ccc(Br)cc1S(=O)(=O)Nc1cc2c(C)noc2cc1OCC(=O)NCCNc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
|
C32H29BrN6O10S 769.587000 |
CYROSEDWOWFPTE-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB647
|
Local ready
Direct docking supported
|
|
E3L065675
LIG000245
|
14g
Cn1cnnc1SCC1CCC(=O)NC1=O
|
C9H12N4O2S 240.288000 |
CZCOBCAEKIBJOY-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, MolGlueDB
BindingDB:BDBM50625125; MolGlueDB:MGDB561
|
Local ready
Direct docking supported
|
|
E3L065676
LIG000246
|
dBET57
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCNc1cccc3c1C(=O)N(C1CCC(=O)NC1=O)C3=O)c1nnc(C)n1-2
|
C34H31ClN8O5S 699.193000 |
CZRLOIDJCMKJHE-UXMRNZNESA-N | - | - |
MolGlueDB
MolGlueDB:MGDB264
|
Local ready
Direct docking supported
|
|
E3L065677
LIG000247
|
72
CC(=O)Nc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
|
C15H13N3O5 315.285000 |
CZSOTEJPRKEDGI-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, MolGlueDB
BindingDB:BDBM511642; MolGlueDB:MGDB76
|
Local ready
Direct docking supported
|
|
E3L065678
LIG000248
|
2
COc1cc(CNC(=O)Nc2ccc(C)c(Cl)c2)cc2c1C(=O)N(C1CCC(=O)NC1=O)C2
|
C23H23ClN4O5 470.913000 |
CZWBGXZCJHGCBR-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1279
|
Local ready
Direct docking supported
|
|
E3L065679
LIG000249
|
10
CCN1C[C@H](C)C[C@@H](Oc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)C1
|
C21H27N3O4 385.464000 |
DADIMSMRMNXYMS-HZBOCPGUSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB462
|
Local ready
Direct docking supported
|
|
E3L065680
LIG000250
|
8
CCN1CC(Oc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)C[C@@H](C)C1
|
C21H27N3O4 385.464000 |
DADIMSMRMNXYMS-IMUUDWKMSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB478
|
Local ready
Direct docking supported
|
|
E3L065681
LIG000251
|
9
CCN1CC(C)CC(Oc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)C1
|
C21H27N3O4 385.464000 |
DADIMSMRMNXYMS-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB477
|
Local ready
Direct docking supported
|
|
E3L065682
LIG000252
|
16
CCCCNC(=O)CNc1ccc(C(=O)NC2CCC(=O)NC2=O)c(F)c1
|
C18H23FN4O4 378.404000 |
DALJORPGDUPLPV-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, MolGlueDB
BindingDB:BDBM50630603; MolGlueDB:MGDB443
|
Local ready
Direct docking supported
|
|
E3L065683
LIG000253
|
LIG000253
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3ccccc3)nccc2s1)C1CCCCC1
|
C28H35N5O2S 505.688000 |
DAXYGNXUBMFNHC-XZOYJPPVSA-N | P98170, Q96CA5 | Baculoviral IAP repeat-containing protein 7, E3 ubiquitin-protein ligase XIAP |
BindingDB, e3_ligand
BindingDB:BDBM50314480; e3_ligand:53
|
Local ready
Direct docking supported
|