| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L065949
LIG000519
|
77
O=C1CCC(N2C(=O)c3ccc(NC(=O)c4ccno4)cc3C2=O)C(=O)N1
|
C17H12N4O6 368.305000 |
GZWULHQUPRCAGH-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB956
|
Local ready
Direct docking supported
|
|
E3L065950
LIG000520
|
dGEM3
CC(C)(C)[C@H](NC(=O)c1cnn2c1OCCC2)C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(-c2ccc(Cl)cc2Cl)cc1
|
C31H35Cl2N5O5 628.557000 |
HAJKDZIMSIXBCX-QGUKFAFCSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1446
|
Local ready
Direct docking supported
|
|
E3L065951
LIG000521
|
AF9001
CC(C)=NNC(=O)c1cc2cccc(C)c2nc1C
|
C15H17N3O 255.321000 |
HCFPIWAHBSSPLY-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB133
|
Local ready
Direct docking supported
|
|
E3L065952
LIG000522
|
6d
COc1cc2onc(C)c2cc1NS(=O)(=O)c1cc(Br)ccc1OCC(=O)NCCCCCNC(=O)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
|
C37H37BrN6O12S 869.704000 |
HCZMNPIEJOEGQF-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB728
|
Local ready
Direct docking supported
|
|
E3L065953
LIG000523
|
VL285
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](C(C)C)N2Cc3ccccc3C2=O)cc1
|
C29H32N4O4S 532.666000 |
HEDFFPYRFJKXQP-VJTSUQJLSA-N | P40337, P62877, Q13617 | von Hippel-Lindau disease tumor suppressor, Cullin-2 |
BindingDB, e3_ligand
BindingDB:BDBM454843; e3_ligand:29
|
Local ready
Direct docking supported
|
|
E3L065954
LIG000524
|
BC-AN2
CC(C)[C@@]1(NC(=O)[C@@H]2C=C3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O
|
C35H39N5O5 609.727000 |
HEFIYUQVAZFDEE-MKTPKCENSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB128
|
Local ready
Direct docking supported
|
|
E3L065955
LIG000525
|
LIG000525
O=C1CCC(N2Cc3c(F)cc(F)cc3C2=O)C(=O)N1
|
C13H10F2N2O3 280.230000 |
HEFPAZVYOQDMAH-UHFFFAOYSA-N | Q96SW2 | - |
e3_ligand
e3_ligand:165
|
Local ready
Direct docking supported
|
|
E3L065956
LIG000526
|
17a
O=C1CCC(N2Cc3ccc([C@@H]4C[C@]4(C(=O)OCC(Cl)(Cl)Cl)c4ccc(Br)cc4)cc3C2=O)C(=O)N1
|
C25H20BrCl3N2O5 614.707000 |
HEHYLGHDIMBWTB-GZODMWGESA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1236
|
Local ready
Direct docking supported
|
|
E3L065957
LIG000527
|
cmp16b
NC1CCC(COC(=O)NC2CCC(=O)NC2=O)CC1
|
C13H21N3O4 283.328000 |
HEPIPPZEYDEJHT-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB854
|
Local ready
Direct docking supported
|
|
E3L065958
LIG000528
|
1
CC(C)c1n[nH]c2c(NCc3ccc(-n4cccn4)cc3)nc(S)nc12
|
C18H19N7S 365.466000 |
HEVAQAWJZYDFKX-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB154
|
Local ready
Direct docking supported
|
|
E3L065959
LIG000529
|
NRX-103094
O=C(O)c1cccc(NC(=O)c2c(Sc3c(Cl)cccc3Cl)cc(C(F)(F)F)[nH]c2=O)c1
|
C20H11Cl2F3N2O4S 503.285000 |
HFBGFWJURBVNFD-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB886
|
Local ready
Direct docking supported
|
|
E3L065960
LIG000530
|
41
O=C(NCc1ccc(C2=CCOCC2)cc1)c1n[nH]cc1NC(=O)c1c(Cl)cccc1Cl
|
C23H20Cl2N4O3 471.344000 |
HFSGGKBVEYVDMS-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB883
|
Local ready
Direct docking supported
|
|
E3L065961
LIG000531
|
23
Cn1nc(C2CCC(=O)NC2=O)c2cccc(N)c21
|
C13H14N4O2 258.281000 |
HFUNVIYZQZDQCS-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB589
|
Local ready
Direct docking supported
|
|
E3L065962
LIG000532
|
LYG-418
O=C1CCC(N2Cc3cc(CNC(=O)C4=Cc5cc(F)cc(F)c5OC4)ccc3C2=O)C(=O)N1
|
C24H19F2N3O5 467.428000 |
HFZZLBJVZZCZCI-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1361
|
Local ready
Direct docking supported
|
|
E3L065963
LIG000533
|
76
COc1ccc2c(c1)OCC(C(=O)Nc1ccc3c(c1)CN(C1CCC(=O)NC1=O)C3=O)=C2
|
C24H21N3O6 447.447000 |
HGLQKZHORDECOX-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB701
|
Local ready
Direct docking supported
|
|
E3L065964
LIG000534
|
4-OH-EM12
O=C1CCC(N2Cc3c(O)cccc3C2=O)C(=O)N1
|
C13H12N2O4 260.249000 |
HGPRKOYQOBYISD-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, MolGlueDB
BindingDB:BDBM50614096; MolGlueDB:MGDB1157
|
Local ready
Direct docking supported
|
|
E3L065965
LIG000535
|
3
NCC1CN(c2cc(N3C4CCC3CN(c3cc(-c5ccccc5O)nnc3N)C4)ccn2)C1
|
C25H30N8O 458.570000 |
HHDGZALZRLDILP-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1313
|
Local ready
Direct docking supported
|
|
E3L065966
LIG000536
|
IBG1
COC(=O)C[C@@H]1N=C(c2ccc(-c3ccc(C(=O)NCc4ccc(S(=O)(=O)Nc5ccc(C)c6c(C#N)c[nH]c56)cc4)cc3)cc2)c2c(sc(C)c2C)-n2c(C)nnc21
|
C44H38N8O5S2 822.973000 |
HHSZFSOLNUHGMP-BHVANESWSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB602
|
Local ready
Direct docking supported
|
|
E3L065968
LIG000538
|
14a
O=C1CCC(N2C(=O)c3cccc([C@@H]4C[C@]4(C(=O)OCC(Cl)(Cl)Cl)c4ccc(Br)cc4)c3C2=O)C(=O)N1
|
C25H18BrCl3N2O6 628.690000 |
HIWCSAGDCGSEPU-DZNFTPFFSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB967
|
Local ready
Direct docking supported
|
|
E3L065969
LIG000539
|
24
CC(C)(c1ccc(OCC2CCOC2)cc1)c1cc(Cl)c(OCC2CCN(C(=O)CCCCNc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)c(C#N)c1
|
C45H50ClN5O8 824.375000 |
HIYJMBNDUDOEQY-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1555
|
Local ready
Direct docking supported
|