| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L066126
LIG000696
|
(R,S)-2a
CC(=O)N([C@H]1CCC(=O)NC1=O)[C@@H](C(=O)NC(C)(C)C)c1ccc(C)cc1
|
C20H27N3O4 373.453000 |
JDWPBOIXGWSFER-DOTOQJQBSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB52
|
Local ready
Direct docking supported
|
|
E3L066127
LIG000697
|
(S,S)-2a
CC(=O)N([C@H](C(=O)NC(C)(C)C)c1ccc(C)cc1)[C@H]1CCC(=O)NC1=O
|
C20H27N3O4 373.453000 |
JDWPBOIXGWSFER-RDJZCZTQSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB50
|
Local ready
Direct docking supported
|
|
E3L066128
LIG000698
|
JP-2-244
CNc1nc(Nc2ccc(C(=O)N3CCN(C(=O)/C=C/C(=O)c4ccc(OC)cc4)CC3)cc2OC)ncc1Cl
|
C28H29ClN6O5 565.030000 |
JEAMPRFLKUGMIJ-ZHACJKMWSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB598
|
Local ready
Direct docking supported
|
|
E3L066129
LIG000699
|
8
CC(O)(C#Cc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O)C1CCNCC1
|
C22H25N3O4 395.459000 |
JEIRJKDDARIGQA-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1375
|
Local ready
Direct docking supported
|
|
E3L066130
LIG000700
|
TMX4128
Cc1sc2c(c1C)C(c1ccc(C#CC=O)cc1)=N[C@@H](CC(=O)OC(C)(C)C)c1nnc(C)n1-2
|
C26H26N4O3S 474.586000 |
JEJGRWMOILENAT-FQEVSTJZSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB267
|
Local ready
Direct docking supported
|
|
E3L066131
LIG000701
|
(R,S)-2b
CC(=O)N([C@H]1CCC(=O)NC1=O)[C@@H](C(=O)NC1CCCCC1)c1ccc(C)cc1
|
C22H29N3O4 399.491000 |
JEPJFAOKUIJZTO-AZUAARDMSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB53
|
Local ready
Direct docking supported
|
|
E3L066132
LIG000702
|
(S,S)-2b
CC(=O)N([C@H](C(=O)NC1CCCCC1)c1ccc(C)cc1)[C@H]1CCC(=O)NC1=O
|
C22H29N3O4 399.491000 |
JEPJFAOKUIJZTO-ICSRJNTNSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB51
|
Local ready
Direct docking supported
|
|
E3L066133
LIG000703
|
34
COc1cc2c(OC)cccc2cc1CNc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O
|
C26H25N3O5 459.502000 |
JEZIYLSEQXNWRA-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB738
|
Local ready
Direct docking supported
|
|
E3L066134
LIG000704
|
LC-04-075
O=C1CCC(N2Cc3cc(-c4ccn5nccc5n4)ccc3C2=O)C(=O)N1
|
C19H15N5O3 361.361000 |
JFGCAFRJJYPKRT-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1173
|
Local ready
Direct docking supported
|
|
E3L066135
LIG000705
|
DS55
Cn1cc(-n2cnc3c(NCc4nc5ccccc5[nH]4)nc(N4CCOCC4)nc32)cn1
|
C21H22N10O 430.476000 |
JFGZKHLBVCENSW-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1609
|
Local ready
Direct docking supported
|
|
E3L066136
LIG000706
|
5
O=C1CCC(N2Cc3cc(NCc4cccc(OCc5ccccc5)c4)ccc3C2=O)C(=O)N1
|
C27H25N3O4 455.514000 |
JGBMVFWFWUPLDL-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1215
|
Local ready
Direct docking supported
|
|
E3L066137
LIG000707
|
Compound 3
CCC(C)(CCNS(=O)(=O)Nc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O)c1ccccc1OC
|
C26H32N4O6S 528.631000 |
JGOOHVLCQOYYOY-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB430
|
Local ready
Direct docking supported
|
|
E3L066138
LIG000708
|
dBET-6
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCCCCCCNC(=O)COc1cccc3c1C(=O)N(C1CCC(=O)NC1=O)C3=O)c1nnc(C)n1-2
|
C42H45ClN8O7S 841.391000 |
JGQPZPLJOBHHBK-UFXYQILXSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, MolGlueDB
BindingDB:BDBM511598; MolGlueDB:MGDB262
Related BindingDB:BDBM511597
|
Local ready
Direct docking supported
|
|
E3L066139
LIG000709
|
36
[2H]C([2H])([2H])Oc1ccc2cc(C(=O)Nc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)ccc2c1
|
C25H21N3O5 446.477305 |
JGWFFKIYBDZDFI-FIBGUPNXSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1
|
Local ready
Direct docking supported
|
|
E3L066140
LIG000710
|
DEG-35
COc1ccc2cc(C(=O)Nc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)ccc2c1
|
C25H21N3O5 443.459000 |
JGWFFKIYBDZDFI-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB698
|
Local ready
Direct docking supported
|
|
E3L066142
LIG000712
|
14v
CC(=O)Nc1ccc(SCC2CCC(=O)NC2=O)cc1
|
C14H16N2O3S 292.360000 |
JHMBNUXUWSOKCO-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, MolGlueDB
BindingDB:BDBM50625140; MolGlueDB:MGDB72
|
Local ready
Direct docking supported
|
|
E3L066143
LIG000713
|
LIG000713
Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)CC(C)(C)C)cc1
|
C23H31N3O3S 429.586000 |
JHNIFIROGIMEAK-KYNGSXCRSA-N | P40337 | - |
e3_ligand
e3_ligand:146
|
Local ready
Direct docking supported
|
|
E3L066144
LIG000714
|
MGD-28
CN1Cc2c(NCc3ccc(CN4CCN(c5ccc(C#N)c(F)c5)CC4)cc3)cccc2C(=O)N1C1CCC(=O)NC1=O
|
C33H34FN7O3 595.679000 |
JICHBFQDRLGJTM-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB563
|
Local ready
Direct docking supported
|
|
E3L066145
LIG000715
|
LIG000715
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCN(C)CC1
|
C26H34FN5O3S 515.655000 |
JIOIGDQISXGQSO-SSKFGXFMSA-N | - | - |
e3_ligand
e3_ligand:45
|
Local ready
Direct docking supported
|
|
E3L066146
LIG000716
|
24a
CC1CCCN(c2ncc(Cl)c(Nc3ccc4c(c3)n(CCC(C)(C)O)c(=O)n4C)n2)C1
|
C23H31ClN6O2 458.994000 |
JJRNMFKHVQJGBN-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, MolGlueDB
BindingDB:BDBM50511623; MolGlueDB:MGDB425
|
Local ready
Direct docking supported
|