| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L065755
LIG000325
|
cmp7g
O=C1CC(NC(=O)c2sc3ccccc3c2Cl)C(=O)N1
|
C13H9ClN2O3S 308.746000 |
DUHXPFVQMXLGOK-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB908
|
Local ready
Direct docking supported
|
|
E3L065756
LIG000326
|
T10
O=C(COc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCOCCOCCOCc1ccccc1
|
C28H31N3O9 553.568000 |
DUNCDFQKTZIWFX-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB874
|
Local ready
Direct docking supported
|
|
E3L065757
LIG000327
|
C9
CCOC(=O)C1CCCN(C(=O)c2nn(-c3ccc(C)c(C)c3)c(=O)n(Cc3ccccc3C)c2=O)C1
|
C28H32N4O5 504.587000 |
DUOCYOGQVJAHDZ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1439
|
Local ready
Direct docking supported
|
|
E3L065758
LIG000328
|
ZXH-1-143
O=C1CCC(N2Cc3c(NC(=O)CNc4ccnc(N5CCN(c6cccc(C(F)(F)F)c6)CC5)n4)cccc3C2=O)C(=O)N1
|
C30H29F3N8O4 622.608000 |
DUXOGWVIPNJZCP-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, MolGlueDB
BindingDB:BDBM50541818; MolGlueDB:MGDB1095
|
Local ready
Direct docking supported
|
|
E3L065759
LIG000329
|
28
O=C1CCC(N2Cc3cc(NC(=O)c4cn5cccc(C(F)(F)F)c5n4)ccc3C2=O)C(=O)N1
|
C22H16F3N5O4 471.395000 |
DVTLHKDLOXQIAR-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1311
|
Local ready
Direct docking supported
|
|
E3L065760
LIG000330
|
45
CN1CCN(c2cc3c(cc2F)C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1
|
C18H19FN4O4 374.372000 |
DVYCBHZUPXFVQA-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, MolGlueDB
BindingDB:BDBM50628760; MolGlueDB:MGDB576
|
Local ready
Direct docking supported
|
|
E3L065761
LIG000331
|
Z3689259904
Nc1cccc2nnn(C3CCC(=O)NC3=O)c(=O)c12
|
C12H11N5O3 273.252000 |
DXZBHVQOULDEPN-UHFFFAOYSA-N | Q96SW2 | - |
e3_ligand, MolGlueDB
e3_ligand:6; MolGlueDB:MGDB826
|
Local ready
Direct docking supported
|
|
E3L065763
LIG000333
|
T06
O=C1CCC(N2C(=O)c3ccc(OCCOCCOCCOCc4ccccc4)cc3C2=O)C(=O)N1
|
C26H28N2O8 496.516000 |
DYULUKGYQMBCIL-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB966
|
Local ready
Direct docking supported
|
|
E3L065764
LIG000334
|
DS24
CC[C@H](CO)Nc1nc(NCc2ccc(-c3ccccn3)c(F)c2)c2ncn(C(C)C)c2n1
|
C24H28FN7O 449.534000 |
DZJLJYVQLLFULK-QGZVFWFLSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1598
|
Local ready
Direct docking supported
|
|
E3L065765
LIG000335
|
LIG000335
CNC(=O)C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](c1cc(C)no1)C(C)C)c1ccc(Br)cc1
|
C24H31BrN4O5 535.439000 |
DZVFTEQNLPBNLU-MDPIYQRISA-N | P40337 | - |
e3_ligand
e3_ligand:32
|
Local ready
Direct docking supported
|
|
E3L065766
LIG000336
|
cmp19
O=C1CCC(N2Cc3c(OCc4ccc(CN5CCN(c6ccc(Cl)cc6)CC5)cc4)cccc3C2=O)C(=O)N1
|
C31H31ClN4O4 559.066000 |
FADZMVGGWGHOPY-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1111
|
Local ready
Direct docking supported
|
|
E3L065767
LIG000337
|
38
O=C1CCC(N2C(=O)c3ccc(N4CC5(COC5)C4)cc3C2=O)C(=O)N1
|
C18H17N3O5 355.350000 |
FAEHWJBQZJWSEK-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1004
|
Local ready
Direct docking supported
|
|
E3L065768
LIG000338
|
Z7312613166
COC(=O)c1ncn(C2CCC(=O)NC2=O)c1NS(=O)(=O)c1cnc(Cl)c(C)c1
|
C16H16ClN5O6S 441.853000 |
FAODPLFQMPVDRK-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB603
|
Local ready
Direct docking supported
|
|
E3L065769
LIG000339
|
34c
CC(NC(=O)Nc1ccc(C(C)(C)C)cc1)c1ccc2nnn(C3CCC(=O)NC3=O)c(=O)c2c1
|
C25H28N6O4 476.537000 |
FAVKGIJRQFOBMS-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB182
|
Local ready
Direct docking supported
|
|
E3L065770
LIG000340
|
DS50
COc1ccccc1CCNC(=O)CNc1nc(NCc2ccc(-c3ccccn3)cc2)c2ncn(C(C)C)c2n1
|
C31H34N8O2 550.667000 |
FAZBCDJEMSESAO-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1606
|
Local ready
Direct docking supported
|
|
E3L065771
LIG000341
|
42
COc1ccc2cc(C(=O)Nc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)ncc2c1
|
C24H20N4O5 444.447000 |
FBESMAXFWMZKLU-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB702
|
Local ready
Direct docking supported
|
|
E3L065772
LIG000342
|
cmpd 11
CC(C)(C)Oc1cccc(S(=O)(=O)Nc2nccc(Nc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)n2)c1
|
C27H26N6O7S 578.607000 |
FBMHQHWTPSSPOQ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB119
|
Local ready
Direct docking supported
|
|
E3L065773
LIG000343
|
2
CC(C)(c1ccc(OCC2CCN(C(=O)CCCCCNc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)cc1)c1ccc(OC[C@H](O)CCl)cc1
|
C43H51ClN4O8 787.354000 |
FBPYSEXCTCCICL-ZIQZBVCVSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1533
|
Local ready
Direct docking supported
|
|
E3L065774
LIG000344
|
32
CC(C)Nc1n[nH]c2c(CN3CCCC3)cc(-c3ccc4c(c3Cl)CN(C3CCC(=O)NC3=O)C4=O)nc12
|
C27H30ClN7O3 536.036000 |
FBVLNDYWKXSEJE-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, MolGlueDB
BindingDB:BDBM755992; MolGlueDB:MGDB1523
|
Local ready
Direct docking supported
|
|
E3L065775
LIG000345
|
ZZ7-16-067
CC(C)S(=O)(=O)c1ccccc1Nc1nc(N[C@@H]2CCCN(C(=O)c3ccncc3)C2)ncc1Cl
|
C24H27ClN6O3S 515.039000 |
FCQJOHNHJQVGML-GOSISDBHSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB169
|
Local ready
Direct docking supported
|