| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L067321
LIG001891
|
56
O=C1CCC(N2C(=O)c3ccc(-c4ccccc4)cc3C2=O)C(=O)N1
|
C19H14N2O4 334.331000 |
YKPRLSWMWNNOOC-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB950
|
Local ready
Direct docking supported
|
|
E3L067322
LIG001892
|
UOM-005428
O=C(Cc1ccc2ccccc2c1)Nc1ncc(SCc2cccnc2)s1
|
C21H17N3OS2 391.521000 |
YKQXMXCTAZWWMP-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1487
|
Local ready
Direct docking supported
|
|
E3L067323
LIG001893
|
8
CC(C)(c1ccc(OCC2CCN(C(=O)CCCCCCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)cc1)c1ccc(OC[C@H](O)CCl)cc1
|
C45H55ClN4O8 815.408000 |
YLNTXGCAKMSQNE-OVFDOZPJSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1539
|
Local ready
Direct docking supported
|
|
E3L067324
LIG001894
|
QXG-1322
O=C1CCC(N2Cc3cc(NC(=O)c4cc5ccccc5cn4)ccc3C2=O)C(=O)N1
|
C23H18N4O4 414.421000 |
YMMHYGHNXAZOQF-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1070
|
Local ready
Direct docking supported
|
|
E3L067326
LIG001896
|
80
COc1cc(Br)cc2c1OCC(C(=O)Nc1ccc3c(c1)CN(C1CCC(=O)NC1=O)C3=O)=C2
|
C24H20BrN3O6 526.343000 |
YNOJNFLEQWRPEG-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB630
|
Local ready
Direct docking supported
|
|
E3L067327
LIG001897
|
DS13
CCOCCOCCNc1nc(N[C@H](CC)CO)nc2c1ncn2C(C)C
|
C18H32N6O3 380.493000 |
YNVUEOVQRIPSTC-CQSZACIVSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1618
|
Local ready
Direct docking supported
|
|
E3L067328
LIG001898
|
619
O=C1CCC(N2C(=O)c3ccc(C(=O)NCCCCCCCCNC(=O)c4ccccc4)cc3C2=O)C(=O)N1
|
C29H32N4O6 532.597000 |
YNZYIANFUVBHKS-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1289
|
Local ready
Direct docking supported
|
|
E3L067329
LIG001899
|
13
Nc1n[nH]c2c(CN3CCC(F)C3)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc12
|
C24H24FN7O3 477.500000 |
YOTWCLAQZCFKKS-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, MolGlueDB
BindingDB:BDBM755948; MolGlueDB:MGDB1504
|
Local ready
Direct docking supported
|
|
E3L067330
LIG001900
|
3
O=C1CCC(N2Cc3cc(NCc4ccc5ccccc5c4)ccc3C2=O)C(=O)N1
|
C24H21N3O3 399.450000 |
YOYMOZQYFJOCDR-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1227
|
Local ready
Direct docking supported
|
|
E3L067331
LIG001901
|
ZXH-1-158
O=C1CCC(N2Cc3c(NC4=NC(Nc5ccccc5F)NC=C4)cccc3C2=O)C(=O)N1
|
C23H21FN6O3 448.458000 |
YPFPGAALCBKYCT-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1155
|
Local ready
Direct docking supported
|
|
E3L067332
LIG001902
|
Compound 1
O=C1CCC(N2C(=O)c3cccc(NC4CC4)c3C2=O)C(=O)N1
|
C16H15N3O4 313.313000 |
YPMJJKZFJCCELH-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1037
|
Local ready
Direct docking supported
|
|
E3L067333
LIG001903
|
ML 1-31
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)N1CCN(C(=O)c3ccc(S(=O)(=O)F)cc3)CC1)c1nnc(C)n1-2
|
C30H28ClFN6O4S2 655.177000 |
YPTYCDONZJUIRY-DEOSSOPVSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB249
|
Local ready
Direct docking supported
|
|
E3L067335
LIG001905
|
4d
COC(=O)c1nc(NC(=O)Cn2cncc(C)c2=O)sc1CCc1ccccc1
|
C20H20N4O4S 412.471000 |
YPVWCHDXMOPZGR-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1474
|
Local ready
Direct docking supported
|
|
E3L067336
LIG001906
|
LIG001906
CNC(=O)C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](c1cc(C)no1)C(C)C)c1ccccc1
|
C24H32N4O5 456.543000 |
YRJWYFLCJKATIJ-MDPIYQRISA-N | P40337 | - |
e3_ligand
e3_ligand:35
|
Local ready
Direct docking supported
|
|
E3L067337
LIG001907
|
20l
O=C1CCC(CS(=O)(=O)Cc2ccccc2)C(=O)N1
|
C13H15NO4S 281.333000 |
YSJXSITYLPIBLC-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, MolGlueDB
BindingDB:BDBM50625145; MolGlueDB:MGDB933
|
Local ready
Direct docking supported
|
|
E3L067338
LIG001908
|
71
O=C1CCC(N2Cc3cc(NC(=O)c4ccc(Sc5ccccc5)cc4)ccc3C2=O)C(=O)N1
|
C26H21N3O4S 471.538000 |
YTBICKXJMTXDLY-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1194
|
Local ready
Direct docking supported
|
|
E3L067339
LIG001909
|
cmp76
N#Cc1ccc(N2CCN(Cc3ccc(COc4cccc5c4CN([C@@H]4CCC(=O)NC4=O)C5=O)cc3)CC2)c(F)c1
|
C32H30FN5O4 567.621000 |
YTINZZFBHWSAGL-MUUNZHRXSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB766
|
Local ready
Direct docking supported
|
|
E3L067340
LIG001910
|
CC-92480
N#Cc1ccc(N2CCN(Cc3ccc(COc4cccc5c4CN([C@H]4CCC(=O)NC4=O)C5=O)cc3)CC2)c(F)c1
|
C32H30FN5O4 567.621000 |
YTINZZFBHWSAGL-NDEPHWFRSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB763
|
Local ready
Direct docking supported
|
|
E3L067344
LIG001914
|
AN5786
Cc1nc2c(C)cccc2cc1C(=O)N/N=C/c1cccc(Cl)c1
|
C19H16ClN3O 337.810000 |
YUFBIYDFJUMGIK-SRZZPIQSSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB408
|
Local ready
Direct docking supported
|
|
E3L067345
LIG001915
|
9i
Cc1ccc(NC(=O)CC(C)c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)cc1Cl
|
C24H24ClN3O4 453.926000 |
YUVUDFGVAMCSLE-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB334
|
Local ready
Direct docking supported
|