| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L066147
LIG000717
|
5-OH-EM12
O=C1CCC(N2Cc3cc(O)ccc3C2=O)C(=O)N1
|
C13H12N2O4 260.249000 |
JJUMFQGCQAUIFH-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, MolGlueDB
BindingDB:BDBM50614097; MolGlueDB:MGDB1235
|
Local ready
Direct docking supported
|
|
E3L066148
LIG000718
|
iDeg-2
CC(C)(C)c1ccc(S(=O)(=O)N2C[C@H]3C[C@H]4C[C@H](C4(C)C)[C@@]3(COC(=O)Nc3ccc(I)cc3)C2)cc1
|
C29H37IN2O4S 636.596000 |
JJXPHCCUUNEEAQ-IHOVNLRLSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB88
|
Local ready
Direct docking supported
|
|
E3L066149
LIG000719
|
R4
O=C1CCC(NC(=O)c2ccccc2I)C(=O)N1
|
C12H11IN2O3 358.135000 |
JKBROTDNXWZZMS-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1384
|
Local ready
Direct docking supported
|
|
E3L066150
LIG000720
|
14k
O=C1CCC(CSc2ccc([N+](=O)[O-])cc2)C(=O)N1
|
C12H12N2O4S 280.305000 |
JLJZGQKXOQGZFH-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, MolGlueDB
BindingDB:BDBM50625129; MolGlueDB:MGDB934
|
Local ready
Direct docking supported
|
|
E3L066151
LIG000721
|
9n
Cc1c(Cl)cc(NC(=O)CCc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)cc1N1CCN(C2COC2)CC1
|
C30H34ClN5O5 580.085000 |
JMCZHFFHCCINFZ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB296
|
Local ready
Direct docking supported
|
|
E3L066152
LIG000722
|
1M
CC(C)(C)OC(=O)NCCOc1cccc(-c2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)c1
|
C26H29N3O6 479.533000 |
JMDZKIIDDYXJIZ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB117
|
Local ready
Direct docking supported
|
|
E3L066153
LIG000723
|
cmp50
O=C1CCC(N2Cc3c(NCc4ccc(CN5CCN(c6ccc(F)cc6F)CC5)cc4)cccc3C2=O)C(=O)N1
|
C31H31F2N5O3 559.617000 |
JMGLSIAOGZDKNZ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1097
|
Local ready
Direct docking supported
|
|
E3L066154
LIG000724
|
cmp27
CC1CCN(Cc2ccc(COc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)cc2)CC1
|
C27H31N3O4 461.562000 |
JMNURPDSEDCSPG-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB426
|
Local ready
Direct docking supported
|
|
E3L066155
LIG000725
|
11
O=C1CCC(N2C(=O)c3ccc(NCc4ccc5ccccc5c4)cc3C2=O)C(=O)N1
|
C24H19N3O4 413.433000 |
JMPKWAOZHLDRKX-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1013
|
Local ready
Direct docking supported
|
|
E3L066156
LIG000726
|
T07
O=C(CNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCOCCOCCOCc1ccccc1
|
C28H32N4O8 552.584000 |
JNGDVRAUWCUIAI-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB862
|
Local ready
Direct docking supported
|
|
E3L066157
LIG000727
|
compound 13
O=C1CCC(n2cc(C3CCOCC3)nn2)C(=O)N1
|
C12H16N4O3 264.285000 |
JNYHDYKYLSAZLT-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1050
|
Local ready
Direct docking supported
|
|
E3L066158
LIG000728
|
19b
O=C1CCC(N2Cc3c(cccc3C3=C[C@@]3(COOCC(Cl)(Cl)Cl)c3ccc(Br)cc3)C2=O)C(=O)N1
|
C25H20BrCl3N2O5 614.707000 |
JODTWQPBVOMTQI-PIFIWZBESA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1087
|
Local ready
Direct docking supported
|
|
E3L066159
LIG000729
|
HQ009
Cc1cnc(NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)n3)n2)s1
|
C15H12F3N5OS2 399.423000 |
JOEZMQAHQHRTDZ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB395
|
Local ready
Direct docking supported
|
|
E3L066160
LIG000730
|
LIG000730
O=C1CCC(N2Cc3cc4c(cc3C2=O)CNC4)C(=O)N1
|
C15H15N3O3 285.303000 |
JOFWTVIUJXDETL-UHFFFAOYSA-N | Q96SW2 | - |
e3_ligand
e3_ligand:76
|
Local ready
Direct docking supported
|
|
E3L066161
LIG000731
|
9
O=C1CCC(N2Cc3cc(-c4cc(CN5CCCC5)c5[nH]nc(C6CCC6)c5n4)ccc3C2=O)C(=O)N1
|
C28H30N6O3 498.587000 |
JOKANKSPKROVOJ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, MolGlueDB
BindingDB:BDBM755986; MolGlueDB:MGDB1500
|
Local ready
Direct docking supported
|
|
E3L066162
LIG000732
|
7c
O=C1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)N1
|
C12H11N3O5 277.236000 |
JOPHGTNZVHMBAS-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB901
|
Local ready
Direct docking supported
|
|
E3L066163
LIG000733
|
ZXH-1-086
O=C1CCC(N2Cc3c(NC(=O)CNc4ccnc(Nc5ccc6c(c5)CCC6)n4)cccc3C2=O)C(=O)N1
|
C28H27N7O4 525.569000 |
JOQAWPOOESVMFX-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, MolGlueDB
BindingDB:BDBM585775; MolGlueDB:MGDB1134
|
Local ready
Direct docking supported
|
|
E3L066164
LIG000734
|
CPD1
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)Nc1nc2ccccc2s1
|
C14H9ClN4O3S 348.771000 |
JOTYYZZVRLAFOZ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1408
|
Local ready
Direct docking supported
|
|
E3L066165
LIG000735
|
22
Cn1nc(C2CCC(=O)NC2=O)c2ccccc21
|
C13H13N3O2 243.266000 |
JPHZXDBBLIMTNU-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, e3_ligand, MolGlueDB
BindingDB:BDBM475126; e3_ligand:150; MolGlueDB:MGDB590
Related BindingDB:BDBM475127; Related BindingDB:BDBM475128
|
Local ready
Direct docking supported
|
|
E3L066166
LIG000736
|
Z5112135075
Cn1nc(C2CCC(=O)NC2=O)c2ccc(NC(=O)NCCCN3CCCC(C(N)=O)C3)cc21
|
C23H31N7O4 469.546000 |
JPKBTNSHKCQNEA-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB587
|
Local ready
Direct docking supported
|