| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L067152
LIG001722
|
BBR
CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1
|
C17H12Br2O3 424.088000 |
WHQCHUCQKNIQEC-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB432
|
Local ready
Direct docking supported
|
|
E3L067153
LIG001723
|
LIG001723
C#Cc1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(C)=O)C(C)(C)C)cc1
|
C23H31N3O4 413.518000 |
WHTWICJCWCIKHM-WEFJBSGNSA-N | P40337 | - |
e3_ligand
e3_ligand:19
|
Local ready
Direct docking supported
|
|
E3L067154
LIG001724
|
ZXH-2-009
O=C1CCC(N2Cc3c(Nc4ccnc(-c5ccc(F)cc5)n4)cccc3C2=O)C(=O)N1
|
C23H18FN5O3 431.427000 |
WIQLXGFLIOQLPU-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1139
|
Local ready
Direct docking supported
|
|
E3L067155
LIG001725
|
TR-213
COc1cc2nc(N3CC=C(c4cccc(C#N)c4)CC3)[nH]c(=O)c2cc1OC
|
C22H20N4O3 388.427000 |
WIYMIFALRIZCFV-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB624
|
Local ready
Direct docking supported
|
|
E3L067156
LIG001726
|
23a
Cc1ccc(NC(=O)NCc2ccc3c(=O)n(C4CCC(=O)NC4=O)nnc3c2)cc1Cl
|
C21H19ClN6O4 454.874000 |
WJBQWPQUXRYNLP-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB350
|
Local ready
Direct docking supported
|
|
E3L067157
LIG001727
|
JP-2-197
COc1ccc(C(=O)/C=C/C(=O)N2CCN(C(=O)C[C@@H]3N=C(c4ccc(Cl)cc4)c4c(sc(C)c4C)-n4c(C)nnc43)CC2)cc1
|
C34H33ClN6O4S 657.196000 |
WJQUXZKGMGEUTI-DEIPZHPTSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB650
|
Local ready
Direct docking supported
|
|
E3L067158
LIG001728
|
FB-84-GG64
COc1ccc(C(=O)/C=C\C(=O)N2CCN(C(=O)C[C@@H]3N=C(c4ccc(Cl)cc4)c4c(sc(C)c4C)-n4c(C)nnc43)CC2)cc1
|
C34H33ClN6O4S 657.196000 |
WJQUXZKGMGEUTI-FVDMPLEPSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB660
|
Local ready
Direct docking supported
|
|
E3L067159
LIG001729
|
Z5000147527
CC1(C)CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)cc21
|
C24H24N4O6S 496.545000 |
WJVZLDFEOKYPKS-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB230
|
Local ready
Direct docking supported
|
|
E3L067160
LIG001730
|
16
O=C1CCC(N2C(=O)c3cccc(N4CCC4)c3C2=O)C(=O)N1
|
C16H15N3O4 313.313000 |
WJXLKABPCVXWDG-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1027
|
Local ready
Direct docking supported
|
|
E3L067161
LIG001731
|
MG-279
O=C1CCC(N2Cc3c(CCCOCCOCCNC(=O)[C@@H]4NC5(CCCCC5)[C@@]5(C(=O)Nc6cc(Cl)ccc65)[C@H]4c4cccc(Cl)c4F)cccc3C2=O)C(=O)N1
|
C43H46Cl2FN5O7 834.773000 |
WKDUIOWFBZEINK-CBAKROEESA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1125
|
Local ready
Direct docking supported
|
|
E3L067162
LIG001732
|
DS08
CC[C@H](CO)Nc1nc(NCc2ccc3ccccc3c2)c2ncn(C(C)C)c2n1
|
C23H28N6O 404.518000 |
WKFFSBIHJSFZMR-LJQANCHMSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB224
|
Local ready
Direct docking supported
|
|
E3L067163
LIG001733
|
9l
Cc1c(Cl)cc(NC(=O)CCc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)cc1N1CCN(C2CCOCC2)CC1
|
C32H38ClN5O5 608.139000 |
WKHABHWFHMXUBW-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB295
|
Local ready
Direct docking supported
|
|
E3L067164
LIG001734
|
16b
O=C1CCC(N2C(=O)c3ccc([C@H]4C[C@@]4(COOCC(Cl)(Cl)Cl)c4ccc(Br)cc4)cc3C2=O)C(=O)N1
|
C25H20BrCl3N2O6 630.706000 |
WKHKNDFNVKBFEM-WEYXIGNSSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB992
|
Local ready
Direct docking supported
|
|
E3L067165
LIG001735
|
dCDK-PcQ
CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(CCCCCCC(=O)N5CCC[C@H]5C(=O)N[C@@H]5CCC(=O)NC5=O)CC4)cn3)nc2n(C2CCCC2)c1=O
|
C41H54N10O6 782.947000 |
WKMVMHORNDWWMD-ZWXJPIIXSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB45
|
Local ready
Direct docking supported
|
|
E3L067166
LIG001736
|
9g
COc1ccc(-c2ccc3[nH]c(=O)c4nnn(-c5ccc(N6CCN(C(=O)/C=C/C(=O)c7ccc([N+](=O)[O-])cc7)CC6)c(C(F)(F)F)c5)c4c3c2)cn1
|
C36H27F3N8O6 724.656000 |
WKQDTDYJXOYJRO-ACCUITESSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB666
|
Local ready
Direct docking supported
|
|
E3L067167
LIG001737
|
35
Nc1ccc(N2CCC(=O)NC2=O)cc1
|
C10H11N3O2 205.217000 |
WKQPBPSJVFRTFL-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB805
|
Local ready
Direct docking supported
|
|
E3L067168
LIG001738
|
ZXH-2-159
COc1cc(OC)cc(C2N=C(Nc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)c3nc[nH]c3N2)c1
|
C26H25N7O5 515.530000 |
WKQYGYBDGSHWLL-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB640
|
Local ready
Direct docking supported
|
|
E3L067169
LIG001739
|
L02
O=C1CCC(N2Cc3cc(NCCOCCOCCOCc4ccccc4)ccc3C2=O)C(=O)N1
|
C26H31N3O6 481.549000 |
WLPMBUYWBAJPBL-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1083
|
Local ready
Direct docking supported
|
|
E3L067170
LIG001740
|
29
CC[C@H](CO)Nc1nc(NCc2ccc(-c3ccco3)cc2)c2ncn(C(C)C)c2n1
|
C23H28N6O2 420.517000 |
WLRLMWBHLHSCIM-GOSISDBHSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB207
|
Local ready
Direct docking supported
|
|
E3L067171
LIG001741
|
5-NH2-EM12
Nc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O
|
C13H13N3O3 259.265000 |
WLUIQUZGNPAKRL-UHFFFAOYSA-N | Q16531, Q96SW2 | Protein cereblon, DNA damage-binding protein 1 |
BindingDB, e3_ligand, MolGlueDB
BindingDB:BDBM50614100; e3_ligand:137; MolGlueDB:MGDB810
|
Local ready
Direct docking supported
|