| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L067132
LIG001702
|
LIG001702
O=C1CCC(n2c(=O)oc3ccccc32)C(=O)N1
|
C12H10N2O4 246.222000 |
WCKFQKVNTHAOGC-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1, Protein cereblon |
BindingDB, e3_ligand
BindingDB:BDBM557425; e3_ligand:63
|
Local ready
Direct docking supported
|
|
E3L067133
LIG001703
|
17
Nc1n[nH]c2c(CN3CC(F)C3)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc12
|
C23H22FN7O3 463.473000 |
WCTPVKHFNNKOTD-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, MolGlueDB
BindingDB:BDBM755954; MolGlueDB:MGDB1508
|
Local ready
Direct docking supported
|
|
E3L067134
LIG001704
|
4e
COC(=O)c1nc(NC(=O)Cn2cnc(C)cc2=O)sc1CCc1ccccc1
|
C20H20N4O4S 412.471000 |
WCUSNLLBELWFHY-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1475
|
Local ready
Direct docking supported
|
|
E3L067135
LIG001705
|
KT-413
CC(C)(O)c1cc2nc([C@H]3CC[C@H](CN4CC5(CC(CCNc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)C4)CC3)sc2cc1NC(=O)c1cccc(C(F)(F)F)n1
|
C45H48F3N7O6S 871.983000 |
WDRJGMSUTPVXDH-KBOGUJPVSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB121
Related BindingDB:BDBM50639853; Related BindingDB:BDBM50639852
|
Local ready
Direct docking supported
|
|
E3L067136
LIG001706
|
LC-03-041
O=C1CC[C@H](N2Cc3cc(-c4cnc5n4CCNC5)ccc3C2=O)C(=O)N1
|
C19H19N5O3 365.393000 |
WDUXNRRGWRVGDQ-AWEZNQCLSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1263
|
Local ready
Direct docking supported
|
|
E3L067137
LIG001707
|
JP-2-196
COc1ccc(C(=O)/C=C/C(=O)N2CCNCC2)cc1
|
C15H18N2O3 274.320000 |
WEAHZKJGXWQOFV-VOTSOKGWSA-N | Q9BV68 | - |
e3_ligand
e3_ligand:175
|
Local ready
Direct docking supported
|
|
E3L067138
LIG001708
|
H_EM12
O=C1CCC(N2Cc3ccccc3C2=O)C(=O)N1
|
C13H12N2O3 244.250000 |
WENKGSGGXGQHSH-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, e3_ligand, MolGlueDB
BindingDB:BDBM50614095; e3_ligand:139; MolGlueDB:MGDB289
|
Local ready
Direct docking supported
|
|
E3L067139
LIG001709
|
UOM-005628
CN(C)c1ccc(CC(=O)Nc2nnc(SCc3cccnc3)s2)cc1
|
C18H19N5OS2 385.518000 |
WENUFXDBNYGNDT-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1483
|
Local ready
Direct docking supported
|
|
E3L067140
LIG001710
|
ZXH-1-181
COc1ccc(-c2nccc(Nc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)n2)c(OC)c1
|
C25H23N5O5 473.489000 |
WEVINWOLZGITPW-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB675
|
Local ready
Direct docking supported
|
|
E3L067141
LIG001711
|
NRX-0492
CN1CCN([C@@H]2CCCN(c3cnc(C(N)=O)c(Nc4ccc(C5CCN(C[C@H]6CCN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)C6)CC5)cc4)n3)C2)C1=O
|
C43H51N11O6 817.952000 |
WFDYOAWNEOGIPM-WYRFSKNSSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB568
|
Local ready
Direct docking supported
|
|
E3L067142
LIG001712
|
cmp45
O=C1CCC(N2C(=O)c3cccc(OCc4ccc(CN5CCN(c6ccc(F)cc6F)CC5)cc4)c3C2=O)C(=O)N1
|
C31H28F2N4O5 574.584000 |
WFFXSERDNVLVGO-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB985
|
Local ready
Direct docking supported
|
|
E3L067143
LIG001713
|
UOM-005614
CC(=O)N1CCN(c2ccc(CC(=O)Nc3ncc(SCc4cccnc4)s3)cc2)CC1
|
C23H25N5O2S2 467.620000 |
WGAVPYFRIDEFSR-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1492
|
Local ready
Direct docking supported
|
|
E3L067144
LIG001714
|
R11
O=C1CCC(NC(=O)c2cc3c(Cl)ncnc3[nH]2)C(=O)N1
|
C12H10ClN5O3 307.697000 |
WGBCVQYUCWNOHB-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1391
|
Local ready
Direct docking supported
|
|
E3L067145
LIG001715
|
5
COc1sccc1-c1cn(C2CCC(=O)NC2=O)nn1
|
C12H12N4O3S 292.320000 |
WGBMKGMEHJIMEJ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1299
|
Local ready
Direct docking supported
|
|
E3L067146
LIG001716
|
7
O=C1CCC(N2C(=O)c3cccc(N4CC5(CNC5)C4)c3C2=O)C(=O)N1
|
C18H18N4O4 354.366000 |
WGIHJLIMOBLXQC-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1024
|
Local ready
Direct docking supported
|
|
E3L067147
LIG001717
|
7b
COc1cc2onc(C)c2cc1NS(=O)(=O)c1cc(Br)ccc1OCC(=O)NCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
|
C33H31BrN6O10S 783.614000 |
WGJQHPXSCAFIHB-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB733
|
Local ready
Direct docking supported
|
|
E3L067148
LIG001718
|
19
Nc1ccc2ncn(C3CCC(=O)NC3=O)c2c1
|
C12H12N4O2 244.254000 |
WGMHCOALNRTCSZ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB812
|
Local ready
Direct docking supported
|
|
E3L067149
LIG001719
|
Z4516478784
O=C1CC[C@@H](NC(=O)c2cc3ccccc3c3[nH]cnc23)C(=O)N1
|
C17H14N4O3 322.324000 |
WGTCRYWISNTHGZ-GFCCVEGCSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB913
|
Local ready
Direct docking supported
|
|
E3L067150
LIG001720
|
5
CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(-c2scnc2C)cc1)C(C)C
|
C23H30N4O4S 458.584000 |
WGZJLQXDRGNUFL-AABGKKOBSA-N | P40337, P62877, Q13617 | Cullin-2, von Hippel-Lindau disease tumor suppressor |
BindingDB, MolGlueDB
BindingDB:BDBM454902; MolGlueDB:MGDB57
|
Local ready
Direct docking supported
|
|
E3L067151
LIG001721
|
ALV-07-070-03
CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(CCCCCCOc5cccc(CN6CCC(c7ccc8c(c7)CN(C7CCC(=O)NC7=O)C8=O)CC6)c5)CC4)cn3)nc2n(C2CCCC2)c1=O
|
C55H66N10O6 963.197000 |
WHBJBJGSCKENQI-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1530
|
Local ready
Direct docking supported
|