| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L065597
LIG000167
|
QXG-131-10
O=C1CCC(N2Cc3cc(NC(=O)c4cn5ccc(F)cc5n4)ccc3C2=O)C(=O)N1
|
C21H16FN5O4 421.388000 |
BZMWZADDRZLOHQ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1067
|
Local ready
Direct docking supported
|
|
E3L065599
LIG000169
|
33
O=C1CCC(N2C(=O)c3ccc(N4CCCCC4)cc3C2=O)C(=O)N1
|
C18H19N3O4 341.367000 |
BZYOGKSOLKXYOY-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1008
|
Local ready
Direct docking supported
|
|
E3L065600
LIG000170
|
LIG000170
Cc1ncsc1-c1ccc(-c2c[nH]c([C@@H]3C[C@@H](O)CN3C(=O)[C@@H](N)C(C)(C)C)n2)cc1
|
C23H29N5O2S 439.585000 |
CBSLJZDEUVECFG-IMFGXOCKSA-N | P40337 | - |
e3_ligand
e3_ligand:85
|
Local ready
Direct docking supported
|
|
E3L065601
LIG000171
|
LYG-407
O=C1CCC(N2Cc3cc(CNC(=O)C4=Cc5cc(Br)ccc5OC4)ccc3C2=O)C(=O)N1
|
C24H20BrN3O5 510.344000 |
CBUHTHKHPLQYMQ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1350
|
Local ready
Direct docking supported
|
|
E3L065602
LIG000172
|
44
CC(C)(C)c1ccc(NC(=O)NC(C)(C)c2ccc3nnn(C4CCC(=O)NC4=O)c(=O)c3c2)cc1Cl
|
C26H29ClN6O4 525.009000 |
CBYGXDRNOKZANI-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB85
|
Local ready
Direct docking supported
|
|
E3L065603
LIG000173
|
CC2
O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1CCOCCOCCOCc1ccccc1
|
C26H28N2O7 480.517000 |
CCBXBYNCBQFXPN-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1042
|
Local ready
Direct docking supported
|
|
E3L065604
LIG000174
|
PT-179
O=C1CCC(N2C(=O)c3ccc(N4CCOCC4)cc3C2=O)C(=O)N1
|
C17H17N3O5 343.339000 |
CCCSRHUSXCBFJZ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB954
|
Local ready
Direct docking supported
|
|
E3L065606
LIG000176
|
34a
Cc1ccc(NC(=O)NC(C)c2ccc3nnn(C4CCC(=O)NC4=O)c(=O)c3c2)cc1Cl
|
C22H21ClN6O4 468.901000 |
CCJCMSXSQPKEPT-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB288
|
Local ready
Direct docking supported
|
|
E3L065607
LIG000177
|
14
Nc1n[nH]c2c(CN3CCC(O)C3)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc12
|
C24H25N7O4 475.509000 |
CCSLZJTUKMSIHD-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, MolGlueDB
BindingDB:BDBM755942; MolGlueDB:MGDB1505
|
Local ready
Direct docking supported
|
|
E3L065608
LIG000178
|
25
COc1cc2nn([C@H]3CC[C@H](CN4CCC5(CC4)CC(CNc4cccc6c4C(=O)N(C4CCC(=O)NC4=O)C6=O)C5)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
|
C44H47F3N8O6 840.904000 |
CDSPEECLQHSSQW-YDKYQZJISA-N | Q96SW2 | Protein cereblon |
BindingDB, MolGlueDB
BindingDB:BDBM50639849; MolGlueDB:MGDB744
|
Local ready
Direct docking supported
|
|
E3L065609
LIG000179
|
I3
Cc1ccc(-n2nc(C#N)c(=O)n(Cc3ccccc3)c2=O)cc1
|
C18H14N4O2 318.336000 |
CDSSZDOWIWFKEO-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB325
|
Local ready
Direct docking supported
|
|
E3L065610
LIG000180
|
6
Cc1c[nH]c2c(NS(=O)(=O)c3ccc(S(=O)(=O)N(C)C)cc3)cccc12
|
C17H19N3O4S2 393.490000 |
CECFNGVFKRUDBQ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1403
|
Local ready
Direct docking supported
|
|
E3L065611
LIG000181
|
13a
O=C1CCC(N2Cc3c(cccc3[C@@H]3C[C@]3(COOCC(Cl)(Cl)Cl)c3ccc(Br)cc3)C2=O)C(=O)N1
|
C25H22BrCl3N2O5 616.723000 |
CEEMGCFBQZJMGE-DHFSANGXSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1085
|
Local ready
Direct docking supported
|
|
E3L065612
LIG000182
|
13b
O=C1CCC(N2Cc3c(cccc3[C@H]3C[C@@]3(COOCC(Cl)(Cl)Cl)c3ccc(Br)cc3)C2=O)C(=O)N1
|
C25H22BrCl3N2O5 616.723000 |
CEEMGCFBQZJMGE-XARDSYGASA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1086
|
Local ready
Direct docking supported
|
|
E3L065613
LIG000183
|
8f
Nc1cccc(F)c1C(=O)NC1CCC(=O)NC1=O
|
C12H12FN3O3 265.244000 |
CFBNFISJFWXHOO-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, MolGlueDB
BindingDB:BDBM50630595; MolGlueDB:MGDB816
|
Local ready
Direct docking supported
|
|
E3L065614
LIG000184
|
LIG000184
O=C1CCN(CC(=O)OCc2ccc(-c3ccccc3)cc2)C(=O)N1
|
C19H18N2O4 338.363000 |
CFCBHGPJAOKYGI-UHFFFAOYSA-N | Q96SW2 | - |
e3_ligand
e3_ligand:161
|
Local ready
Direct docking supported
|
|
E3L065615
LIG000185
|
22i
COc1ccc(NC(=O)NCc2ccc3nnn(C4CCC(=O)NC4=O)c(=O)c3c2)cc1
|
C21H20N6O5 436.428000 |
CFESYBHYLXXEHM-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB682
|
Local ready
Direct docking supported
|
|
E3L065616
LIG000186
|
F3CO-Le
Nc1cc(OC(F)(F)F)cc2c1CN(C1CCC(=O)NC1=O)C2=O
|
C14H12F3N3O4 343.261000 |
CFLQOYFUGDVTBH-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB785
|
Local ready
Direct docking supported
|
|
E3L065617
LIG000187
|
14
CC[C@H](CO)Nc1nc(NCc2ccc(-c3cc(C)ccn3)cc2)c2ncn(C(C)C)c2n1
|
C25H31N7O 445.571000 |
CFMNIHMZNBOZMD-HXUWFJFHSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB198
|
Local ready
Direct docking supported
|
|
E3L065618
LIG000188
|
LIG000188
CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C)c1ccc(C2CC2)cc1)C(C)(C)C
|
C24H35N3O4 429.561000 |
CFQQOSHEPDRZSL-MYDCNYLUSA-N | P40337 | - |
e3_ligand
e3_ligand:20
|
Local ready
Direct docking supported
|