| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L066270
LIG000840
|
6-NH2-EM12
Nc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2
|
C13H13N3O3 259.265000 |
LAGNQECGHYBSCQ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1, Protein cereblon |
BindingDB, MolGlueDB
BindingDB:BDBM50614101; MolGlueDB:MGDB811
|
Local ready
Direct docking supported
|
|
E3L066271
LIG000841
|
KMG-1068
COC(=O)c1nc(NC(=O)Cn2cnc(C)c(C)c2=O)sc1CCc1ccccc1
|
C21H22N4O4S 426.498000 |
LAQHQKJOQQJGCZ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1471
|
Local ready
Direct docking supported
|
|
E3L066272
LIG000842
|
16
Nc1n[nH]c2c(CN3CCC3)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc12
|
C23H23N7O3 445.483000 |
LAXPQGCLPHSTCP-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, MolGlueDB
BindingDB:BDBM755956; MolGlueDB:MGDB1507
|
Local ready
Direct docking supported
|
|
E3L066273
LIG000843
|
cmp28
O=C1CCC(N2Cc3c(OCc4ccc(CN5CCN(c6ccc(Cl)cc6Cl)CC5=O)cc4)cccc3C2=O)C(=O)N1
|
C31H28Cl2N4O5 607.494000 |
LBCBAPLWMOHXCR-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1106
|
Local ready
Direct docking supported
|
|
E3L066274
LIG000844
|
L1
CCOC(=O)c1nn(-c2ccc(C)c(C)c2)c(=O)n(Cc2ccccc2)c1=O
|
C21H21N3O4 379.416000 |
LBDZZMPCOVHMCL-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB487
|
Local ready
Direct docking supported
|
|
E3L066275
LIG000845
|
ZXH-1-179
COc1cc(F)ccc1C1N=CC=C(NCC(=O)Nc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)N1
|
C26H25FN6O5 520.521000 |
LBGXVDNBTCIXBY-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB616
|
Local ready
Direct docking supported
|
|
E3L066276
LIG000846
|
cmp7c
O=C1CC(NC(=O)c2c(Cl)cc(Cl)cc2Cl)C(=O)N1
|
C11H7Cl3N2O3 321.547000 |
LBWIBZYKUVIBKH-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB906
|
Local ready
Direct docking supported
|
|
E3L066277
LIG000847
|
UOM-005839
CN(CCOCCOCCN)c1ccc(CC(=O)Nc2nnc(SCc3cccnc3)s2)cc1
|
C23H30N6O3S2 502.666000 |
LCLLMUQLYXIOMU-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1484
|
Local ready
Direct docking supported
|
|
E3L066278
LIG000848
|
LCL161 derivative
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(C(=O)c2cccc(OC)c2)cs1)C1CCCCC1
|
C27H36N4O4S 512.676000 |
LCQFGFLQFLFDST-RTFZILSDSA-N | P98170, Q13489, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 2 |
BindingDB, e3_ligand
BindingDB:BDBM50279272; e3_ligand:48
|
Local ready
Direct docking supported
|
|
E3L066279
LIG000849
|
LCL161 derivative
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(C(=O)c2cccc(OC)c2)cs1)C1CCCCC1
|
C27H36N4O4S 512.676000 |
LCQFGFLQFLFDST-RTFZILSDSA-N | P98170 | - |
e3_ligand
e3_ligand:48
|
Local ready
Direct docking supported
|
|
E3L066280
LIG000850
|
LCL161 derivative
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(C(=O)c2cccc(OC)c2)cs1)C1CCCCC1
|
C27H36N4O4S 512.676000 |
LCQFGFLQFLFDST-RTFZILSDSA-N | Q13489 | - |
e3_ligand
e3_ligand:48
|
Local ready
Direct docking supported
|
|
E3L066281
LIG000851
|
S656
CN(C)c1ccc(CC(=O)Nc2ncc(SCc3cccnc3)s2)cc1
|
C19H20N4OS2 384.530000 |
LDDFEYPHVJLXIL-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1481
|
Local ready
Direct docking supported
|
|
E3L066282
LIG000852
|
30
Cn1nc(N2CCC(=O)NC2=O)c2ccccc21
|
C12H12N4O2 244.254000 |
LEODGVRUTOHQBX-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB593
|
Local ready
Direct docking supported
|
|
E3L066283
LIG000853
|
cmpd 13
Cc1cccc(S(=O)(=O)Nc2nccc(Nc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)n2)c1
|
C24H20N6O6S 520.527000 |
LEPFEJPCVARHRW-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB380
|
Local ready
Direct docking supported
|
|
E3L066284
LIG000854
|
14b
O=C1CCC(CSc2ccc(Cl)cc2)C(=O)N1
|
C12H12ClNO2S 269.753000 |
LESSZBSLYSHLDN-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, MolGlueDB
BindingDB:BDBM50625120; MolGlueDB:MGDB936
|
Local ready
Direct docking supported
|
|
E3L066285
LIG000855
|
UOM-005608
O=C(Cc1ccc(N2CCCC2)cc1)Nc1ncc(SCc2cccnc2)s1
|
C21H22N4OS2 410.568000 |
LFVLSZPWZWLJLJ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1485
|
Local ready
Direct docking supported
|
|
E3L066286
LIG000856
|
39
CCCCOc1ccc2cc(C(=O)Nc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)ccc2c1
|
C28H27N3O5 485.540000 |
LGICWZWRXNEGBB-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB453
|
Local ready
Direct docking supported
|
|
E3L066287
LIG000857
|
compound 12
O=C1CCC(n2cc(Cc3ccccc3)nn2)C(=O)N1
|
C14H14N4O2 270.292000 |
LGMIEVUZNUSRRZ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1051
|
Local ready
Direct docking supported
|
|
E3L066288
LIG000858
|
HQ020
O=C(Cc1csc(Nc2ccccn2)n1)NCc1nc2ccccc2[nH]1
|
C18H16N6OS 364.434000 |
LGZNPORGMNLKSJ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB860
|
Local ready
Direct docking supported
|
|
E3L066289
LIG000859
|
LYG-416
COc1cccc2c1OCC(C(=O)NCc1ccc3c(c1)CN(C1CCC(=O)NC1=O)C3=O)=C2
|
C25H23N3O6 461.474000 |
LHSVRMCMURJDQT-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1359
|
Local ready
Direct docking supported
|