| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L066103
LIG000673
|
4h
COC(=O)c1nc(NC(=O)Cn2cnc(C)c(C)c2=O)sc1Cc1ccccc1
|
C20H20N4O4S 412.471000 |
IYBAILYMHNFNGK-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1478
|
Local ready
Direct docking supported
|
|
E3L066104
LIG000674
|
33
O=C1CCN(c2ccccc2)C(=O)N1
|
C10H10N2O2 190.202000 |
IYBINJWRHRKLTJ-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, e3_ligand, MolGlueDB
BindingDB:BDBM581732; e3_ligand:77; MolGlueDB:MGDB762
|
Local ready
Direct docking supported
|
|
E3L066106
LIG000676
|
ZXH-1-163
CCN(Cc1ccccc1)C1N=C(Nc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)C=CN1
|
C26H28N6O3 472.549000 |
IYMJRNITWLMQNI-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB458
|
Local ready
Direct docking supported
|
|
E3L066107
LIG000677
|
DS69
CC[C@H](CO)Nc1nc(NCCCc2cccc(C)n2)c2ncn(C(C)C)c2n1
|
C21H31N7O 397.527000 |
IYNJPMYEAQNCBL-MRXNPFEDSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1582
|
Local ready
Direct docking supported
|
|
E3L066108
LIG000678
|
cmp12b
O=C(O)CCC(=O)NCc1ccc(COC(=O)NC2CCC(=O)NC2=O)cc1
|
C18H21N3O7 391.380000 |
IYOYSSFBNZPDGU-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB888
|
Local ready
Direct docking supported
|
|
E3L066109
LIG000679
|
LIG000679
CN1C(=O)CCC(N2C(=O)c3ccccc3C2=O)C1=O
|
C14H12N2O4 272.260000 |
IYYPLFUVXTVBLD-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, e3_ligand
BindingDB:BDBM733974; e3_ligand:155
|
Local ready
Direct docking supported
|
|
E3L066110
LIG000680
|
8c
COc1ccc(Br)cc1S(=O)(=O)Nc1cc2c(C)noc2cc1OCC(=O)NCCCCNc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
|
C34H33BrN6O10S 797.641000 |
IZACCWKGFNCWEU-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB645
|
Local ready
Direct docking supported
|
|
E3L066111
LIG000681
|
20
Nc1n[nH]c2c(CN3CCCC4(COC4)C3)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc12
|
C27H29N7O4 515.574000 |
IZSDNUFXBLBMLW-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1511
|
Local ready
Direct docking supported
|
|
E3L066112
LIG000682
|
DS31
CC[C@H](CO)Nc1nc(NCCc2ccccc2)c2ncn(C(C)C)c2n1
|
C20H28N6O 368.485000 |
IZTUOVOTDRDXOG-MRXNPFEDSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1565
|
Local ready
Direct docking supported
|
|
E3L066113
LIG000683
|
AKOS018335184
O=C1CCN(c2ccccc2Cl)C(=O)N1
|
C10H9ClN2O2 224.647000 |
JADCAPMFEZPUSD-UHFFFAOYSA-N | Q96SW2 | - |
e3_ligand
e3_ligand:78
|
Local ready
Direct docking supported
|
|
E3L066114
LIG000684
|
6
CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C)c1ccc(-c2scnc2C)cc1)C(C)(C)C
|
C25H34N4O4S 486.638000 |
JAHUHEDUDMTTTF-COWZOJLOSA-N | P40337 | von Hippel-Lindau disease tumor suppressor |
BindingDB, e3_ligand, MolGlueDB
BindingDB:BDBM50615684; e3_ligand:15; MolGlueDB:MGDB55
Related BindingDB:BDBM50637329
|
Local ready
Direct docking supported
|
|
E3L066115
LIG000685
|
ML 1-55
COC(=O)Oc1cc(NC(=O)C[C@@H]2N=C(c3ccc(Cl)cc3)c3c(sc(C)c3C)-n3c(C)nnc32)c(C(C)(C)C)cc1C(C)(C)C
|
C35H40ClN5O4S 662.256000 |
JBEJPXQZHLEYQJ-SANMLTNESA-N | - | - |
MolGlueDB
MolGlueDB:MGDB611
|
Local ready
Direct docking supported
|
|
E3L066116
LIG000686
|
9
Nc1ccc(C(=O)NC2CCC(=O)NC2=O)cc1
|
C12H13N3O3 247.254000 |
JBOKBLSWHXNCMS-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, MolGlueDB
BindingDB:BDBM50630592; MolGlueDB:MGDB801
|
Local ready
Direct docking supported
|
|
E3L066119
LIG000689
|
R1
Nc1ccc(C(=O)NC2CCC(=O)NC2=O)cc1
|
C12H13N3O3 247.254000 |
JBOKBLSWHXNCMS-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1382
|
Local ready
Direct docking supported
|
|
E3L066120
LIG000690
|
cmp23
CC(C)C1CCN(Cc2ccc(COc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)cc2)CC1
|
C29H35N3O4 489.616000 |
JBPNVVIHWFBAQI-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB156
|
Local ready
Direct docking supported
|
|
E3L066121
LIG000691
|
C7
N#CCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
|
C15H11N3O4 297.270000 |
JCIDIJWPCCCOJE-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB772
|
Local ready
Direct docking supported
|
|
E3L066122
LIG000692
|
ZXH-1-154
COc1ccc(NC2N=C(Nc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)C=CN2)cc1
|
C24H24N6O4 460.494000 |
JCUUURZVHHAXQB-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB685
|
Local ready
Direct docking supported
|
|
E3L066123
LIG000693
|
11
CC(C)(c1ccc(OCC2CCN(C(=O)CCCCOc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)cc1)c1ccc(OC[C@H](O)CCl)cc1
|
C42H48ClN3O9 774.311000 |
JDEOVSDODMFTIN-XMGIQNEDSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1542
|
Local ready
Direct docking supported
|
|
E3L066124
LIG000694
|
19
Nc1n[nH]c2c(CN3CC4COCC4C3)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc12
|
C26H27N7O4 501.547000 |
JDLIGRQSRGPCHF-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, MolGlueDB
BindingDB:BDBM755968; MolGlueDB:MGDB1510
|
Local ready
Direct docking supported
|
|
E3L066125
LIG000695
|
T14
O=C1CCC(N2C(=O)c3ccc(C#CCOCCOCCOCc4ccccc4)cc3C2=O)C(=O)N1
|
C27H26N2O7 490.512000 |
JDSMIZOEPCXRLN-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB948
|
Local ready
Direct docking supported
|