| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L065462
LIG000032
|
Lib-B-18G
O=C(COc1ccccc1-c1cccc2c1CN(C1CCC(=O)NC1=O)C2=O)N/N=C/c1ccccc1C1CCCCC1
|
C34H34N4O5 578.669000 |
ALVJQIFKWOBDMR-XZYGTATASA-N | - | - |
MolGlueDB
MolGlueDB:MGDB870
|
Local ready
Direct docking supported
|
|
E3L065463
LIG000033
|
LIG000033
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(-c2scnc2C)cc1)C(C)(C)C
|
C33H41N5O5S 619.788000 |
ALYDGEQICGMVIP-UYIZUTNXSA-N | P40337 | von Hippel-Lindau disease tumor suppressor |
BindingDB, e3_ligand
BindingDB:BDBM50099055; e3_ligand:7
|
Local ready
Direct docking supported
|
|
E3L065464
LIG000034
|
LYG-201
NC(Cc1ccccc1)C(=O)NCc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O
|
C23H24N4O4 420.469000 |
ALZPXFLWWCJWBQ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1328
|
Local ready
Direct docking supported
|
|
E3L065465
LIG000035
|
T03
O=C1CCC(N2C(=O)c3cccc(NC(=O)COCCOCCOCc4ccccc4)c3C2=O)C(=O)N1
|
C26H27N3O8 509.515000 |
AMNHFQYULVAPGN-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB981
|
Local ready
Direct docking supported
|
|
E3L065466
LIG000036
|
ALV-07-036-01
CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(CCOCCOc5ccc(CN6CCC(c7ccc8c(c7)CN(C7CCC(=O)NC7=O)C8=O)CC6)cc5)CC4)cn3)nc2n(C2CCCC2)c1=O
|
C53H62N10O7 951.142000 |
AMQZNXOJHPZWFY-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1525
|
Local ready
Direct docking supported
|
|
E3L065467
LIG000037
|
76
O=C1CCC(N2C(=O)c3ccc(NC(=O)C4CCCC4)cc3C2=O)C(=O)N1
|
C19H19N3O5 369.377000 |
ANEFPIMEBOXGDJ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB963
|
Local ready
Direct docking supported
|
|
E3L065468
LIG000038
|
HQ018
Cc1ccnc(Nc2nc(CC(=O)Nc3nc4c(s3)CCCC4)cs2)c1
|
C18H19N5OS2 385.518000 |
AOBRGNVKIGVAAC-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB308
|
Local ready
Direct docking supported
|
|
E3L065469
LIG000039
|
ML 1-54
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)N1CCN(C(=O)c3cc(S(=O)(=O)F)ccc3O)CC1)c1nnc(C)n1-2
|
C30H28ClFN6O5S2 671.176000 |
AOSVNBUSHVHAJS-QHCPKHFHSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB246
|
Local ready
Direct docking supported
|
|
E3L065470
LIG000040
|
75
COc1ccc2c(c1)C=C(C(=O)Nc1ccc3c(c1)CN(C1CCC(=O)NC1=O)C3=O)CO2
|
C24H21N3O6 447.447000 |
AOZLNZRSVIVLQX-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB707
|
Local ready
Direct docking supported
|
|
E3L065471
LIG000041
|
AN5792
Cc1nc2c(C)cccc2cc1C(=O)N/N=C/c1cccc([N+](=O)[O-])c1
|
C19H16N4O3 348.362000 |
APLIOLSIBKIUEO-RGVLZGJSSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB407
|
Local ready
Direct docking supported
|
|
E3L065472
LIG000042
|
LIG000042
O=C1CCC(c2c(F)cccc2F)C(=O)N1
|
C11H9F2NO2 225.194000 |
APLUFXAUCSROQS-UHFFFAOYSA-N | Q96SW2 | - |
e3_ligand
e3_ligand:156
|
Local ready
Direct docking supported
|
|
E3L065473
LIG000043
|
LC-04-081
Nc1cnn2ccc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc12
|
C19H16N6O3 376.376000 |
APQSXHQOFJECJP-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB787
|
Local ready
Direct docking supported
|
|
E3L065474
LIG000044
|
I9
Cc1ccc(-n2nc(C#N)c(=O)n(Cc3cccc(F)c3)c2=O)cc1C
|
C19H15FN4O2 350.353000 |
APWFLORCCLNAOP-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB239
|
Local ready
Direct docking supported
|
|
E3L065475
LIG000045
|
AN5722
Cc1ccc2nc(C)c(C(=O)N/N=C/c3cccc(O)c3)cc2c1
|
C19H17N3O2 319.364000 |
AQHURQQAPNZHNR-RGVLZGJSSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB371
|
Local ready
Direct docking supported
|
|
E3L065476
LIG000046
|
HQ003
Cc1cnc(NC(=O)Cc2csc(Nc3cccc(Br)n3)n2)s1
|
C14H12BrN5OS2 410.322000 |
AQNZJUPTCLYFTA-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB394
|
Local ready
Direct docking supported
|
|
E3L065477
LIG000047
|
LIG000047
O=C1CCC(NC(=O)c2cccc(F)n2)C(=O)N1
|
C11H10FN3O3 251.217000 |
AQWGQQGMSGBEDY-UHFFFAOYSA-N | Q96SW2 | - |
e3_ligand
e3_ligand:109
|
Local ready
Direct docking supported
|
|
E3L065478
LIG000048
|
AN5777
Cc1nc2c(C)cccc2cc1C(=O)N/N=C/c1ccccc1O
|
C19H17N3O2 319.364000 |
ARBAVLNDKREMOX-RGVLZGJSSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB406
|
Local ready
Direct docking supported
|
|
E3L065479
LIG000049
|
16
CCc1ccnc(-c2ccc(CNc3nc(N[C@H](CC)CO)nc4c3ncn4C(C)C)cc2)c1
|
C26H33N7O 459.598000 |
ARNIMRXFPKLXEH-OAQYLSRUSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB437
|
Local ready
Direct docking supported
|
|
E3L065480
LIG000050
|
71
COC(=O)C12C3C4C1C1C2C3C41C(=O)Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
|
C24H19N3O7 461.430000 |
ASBOGBVIALFXOT-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB608
|
Local ready
Direct docking supported
|
|
E3L065481
LIG000051
|
LYG-414
COc1cccc2c1C=C(C(=O)NCc1ccc3c(c1)CN(C1CCC(=O)NC1=O)C3=O)CO2
|
C25H23N3O6 461.474000 |
ASOVEHHQRHJMOC-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1357
|
Local ready
Direct docking supported
|