| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L067410
LIG001980
|
2F
CCOc1ccc(-c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)cc1
|
C21H20N2O4 364.401000 |
ZRRHUJUXYGQAEL-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB498
|
Local ready
Direct docking supported
|
|
E3L067411
LIG001981
|
16
COC(=O)c1cc(-c2cn(C3CCC(=O)NC3=O)nn2)cs1
|
C13H12N4O4S 320.330000 |
ZRULUUAUSOFXRQ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1309
|
Local ready
Direct docking supported
|
|
E3L067412
LIG001982
|
QXG-133-5
O=C1CCC(N2Cc3cc(NC(=O)c4cc5ncccn5n4)ccc3C2=O)C(=O)N1
|
C20H16N6O4 404.386000 |
ZSHSKAUYLBAGAR-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1074
|
Local ready
Direct docking supported
|
|
E3L067414
LIG001984
|
26b
C[C@@H]1C[C@H](C)CN(c2cc(Nc3ccc4c(c3)n(CCC(C)(C)O)c(=O)n4C)c(Cl)cn2)C1
|
C25H34ClN5O2 472.033000 |
ZSNPZVSHDMCRMS-CALCHBBNSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, MolGlueDB
BindingDB:BDBM50511626; MolGlueDB:MGDB11
|
Local ready
Direct docking supported
|
|
E3L067415
LIG001985
|
7
COc1cc(-c2cn(C3CCC(=O)NC3=O)nn2)cs1
|
C12H12N4O3S 292.320000 |
ZSXWHDGBJSYIGI-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1300
|
Local ready
Direct docking supported
|
|
E3L067416
LIG001986
|
31
COc1ccc(C(C)(C)c2cc(Cl)c(OCC3CCN(C(=O)CCCCNc4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)c(C#N)c2)cc1
|
C41H43ClFN5O7 772.274000 |
ZTKHOWSMLZBCTQ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1562
|
Local ready
Direct docking supported
|
|
E3L067417
LIG001987
|
cmp7b
O=C1CC(NC(=O)Cc2ccccc2)C(=O)N1
|
C12H12N2O3 232.239000 |
ZTMDMWMWWGOUHX-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB910
|
Local ready
Direct docking supported
|
|
E3L067418
LIG001988
|
9p
COc1ccc(-c2ccc3[nH]c(=O)c4nnn(-c5ccc(N6CCN(C(=O)/C=C/C(=O)c7ccccc7OC)CC6)c(C(F)(F)F)c5)c4c3c2)cn1
|
C37H30F3N7O5 709.685000 |
ZUBWTELWMBXBTN-WYMLVPIESA-N | - | - |
MolGlueDB
MolGlueDB:MGDB663
|
Local ready
Direct docking supported
|
|
E3L067419
LIG001989
|
EM12-SO2Pyr(4-Me)
Cc1cnn(S(=O)(=O)c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)c1
|
C17H16N4O5S 388.405000 |
ZVFRHHYHSDAJGY-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, MolGlueDB
BindingDB:BDBM50630775; MolGlueDB:MGDB390
|
Local ready
Direct docking supported
|
|
E3L067420
LIG001990
|
cmp20
COc1ccc(N2CCN(Cc3ccc(COc4cccc5c4CN(C4CCC(=O)NC4=O)C5=O)cc3)CC2)cc1
|
C32H34N4O5 554.647000 |
ZVHZSJXUQWJNOO-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB681
|
Local ready
Direct docking supported
|
|
E3L067421
LIG001991
|
LYG-101
O=C1CCC(N2Cc3cc(CNC(=O)/C(Cc4ccc(F)cc4)=N/O)ccc3C2=O)C(=O)N1
|
C23H21FN4O5 452.442000 |
ZWMMBLXEKZBASQ-OVVQPSECSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1320
|
Local ready
Direct docking supported
|
|
E3L067422
LIG001992
|
37
CC(C)(C)OC(=O)N1CC2(C1)CN(c1ccc3c(c1)C(=O)N(C1CCC(=O)NC1=O)C3=O)C2
|
C23H26N4O6 454.483000 |
ZWPXTCMYPKCOOX-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB106
|
Local ready
Direct docking supported
|
|
E3L067423
LIG001993
|
62
CC(=O)Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
|
C15H13N3O5 315.285000 |
ZWXLEWVWKZSKRA-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, MolGlueDB
BindingDB:BDBM511640; MolGlueDB:MGDB75
|
Local ready
Direct docking supported
|
|
E3L067424
LIG001994
|
Lib-B-12J
CC(C)c1ccccc1/C=N/NC(=O)COc1ccccc1-c1cccc2c1CN(C1CCC(=O)NC1=O)C2=O
|
C31H30N4O5 538.604000 |
ZXDSWBTZXSRYIG-KPGMTVGESA-N | - | - |
MolGlueDB
MolGlueDB:MGDB135
|
Local ready
Direct docking supported
|
|
E3L067425
LIG001995
|
Z5000146157
CS(=O)(=O)Nc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O
|
C14H15N3O5S 337.357000 |
ZXIMMTPNPAZRJB-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB754
|
Local ready
Direct docking supported
|
|
E3L067426
LIG001996
|
57
O=C1CCC(N2C(=O)c3ccc(-c4cccnc4)cc3C2=O)C(=O)N1
|
C18H13N3O4 335.319000 |
ZXJLSZYUIYKZTA-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB951
|
Local ready
Direct docking supported
|
|
E3L067427
LIG001997
|
MY-11B
C#Cc1ccc([C@H]2CN(C(=O)C=C)[C@H]2C(=O)Nc2cccc3cccnc23)cc1
|
C24H19N3O2 381.435000 |
ZYFDJDJYKDPFFT-AUSIDOKSSA-N | Q9Y4B6 | - |
e3_ligand
e3_ligand:97
|
Local ready
Direct docking supported
|
|
E3L067428
LIG001998
|
31
CC(C)Nc1n[nH]c2c(CN3CCCC3)cc(-c3ccc4c(c3F)CN(C3CCC(=O)NC3=O)C4=O)nc12
|
C27H30FN7O3 519.581000 |
ZYMWJRANZLPARA-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, MolGlueDB
BindingDB:BDBM755990; MolGlueDB:MGDB1522
|
Local ready
Direct docking supported
|
|
E3L067429
LIG001999
|
BIO-1975900 Parkin
CC(=O)N1Cc2c(-c3ccc(C(=O)N4CCCc5ccccc54)cc3)cnn2C[C@@H]1Cc1ccccc1
|
C31H30N4O2 490.607000 |
ZYSMPORNWLASGT-MHZLTWQESA-N | - | - |
MolGlueDB
MolGlueDB:MGDB60
|
Local ready
Direct docking supported
|
|
E3L067430
LIG002000
|
LC-04-113
Cc1cnn2ccc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc12
|
C20H17N5O3 375.388000 |
ZYTXPWPQWMJJJR-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB300
|
Local ready
Direct docking supported
|