| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L066763
LIG001333
|
MG-Lin1
Cc1nnc2ccc(-c3cccc(N(C)C(=O)/C=C/c4ccc(C(F)(F)F)cc4)c3)nn12
|
C23H18F3N5O 437.425000 |
ROVDMIUDPJJBBI-MDWZMJQESA-N | - | - |
MolGlueDB
MolGlueDB:MGDB417
|
Local ready
Direct docking supported
|
|
E3L066764
LIG001334
|
FL118
CC[C@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc4c(cc3nc2-1)OCO4
|
C21H16N2O6 392.367000 |
RPFYDENHBPRCTN-OAQYLSRUSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB187
|
Local ready
Direct docking supported
|
|
E3L066765
LIG001335
|
R8
O=C1CCC(NC(=O)c2ccc3cc[nH]c3c2)C(=O)N1
|
C14H13N3O3 271.276000 |
RPNYOBLCXVTJOQ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1388
|
Local ready
Direct docking supported
|
|
E3L066766
LIG001336
|
8
Cc1ccc(NS(=O)(=O)c2ccc(N)cc2)c2[nH]cc(C#N)c12
|
C16H14N4O2S 326.381000 |
RPNZPMSVKCLQEU-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1405
|
Local ready
Direct docking supported
|
|
E3L066767
LIG001337
|
R6
O=C1CCC(NC(=O)c2cc3ccccc3[nH]2)C(=O)N1
|
C14H13N3O3 271.276000 |
RQQZAXKKICGZGX-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1386
|
Local ready
Direct docking supported
|
|
E3L066768
LIG001338
|
Entry 15
CN1CCN([C@@H]2CCCN(c3cnc(C(N)=O)c(Nc4ccc(C5CCN(CC6CCN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)CC5)cc4)n3)C2)C1=O
|
C44H53N11O6 831.979000 |
RRKHTBLDFNFWBG-WXZYJURRSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB570
|
Local ready
Direct docking supported
|
|
E3L066769
LIG001339
|
JP-2-227
COc1ccc(C(=O)/C=C/C(=O)N2CCN(c3cc(Nc4ncc(C(=O)Nc5c(C)cccc5Cl)s4)nc(C)n3)CC2)cc1
|
C31H30ClN7O4S 632.146000 |
RSAGTMNLBHUUBK-VAWYXSNFSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB654
|
Local ready
Direct docking supported
|
|
E3L066770
LIG001340
|
LIG001340
O=C1CCC(N2Cc3c(F)cccc3C2=O)C(=O)N1
|
C13H11FN2O3 262.240000 |
RSDXKDVFVKDIFY-UHFFFAOYSA-N | Q96SW2 | - |
e3_ligand
e3_ligand:170
|
Local ready
Direct docking supported
|
|
E3L066771
LIG001341
|
4
N#Cc1c[nH]c2c(NS(=O)(=O)c3ccc(S(N)(=O)=O)cc3)cccc12
|
C15H12N4O4S2 376.419000 |
RSFHGWJANOTWJM-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1401
|
Local ready
Direct docking supported
|
|
E3L066772
LIG001342
|
AN5782
Cc1nc2c(C)cccc2cc1C(=O)N/N=C/c1cccc(O)c1
|
C19H17N3O2 319.364000 |
RSHJUKZSHUQUOT-RGVLZGJSSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB409
|
Local ready
Direct docking supported
|
|
E3L066773
LIG001343
|
LC-04-159
Cc1ccc(Cl)c(-c2ccccc2CN2CCn3c(-c4ccc5c(c4)CN([C@H]4CCC(=O)NC4=O)C5=O)cnc3C2)c1
|
C33H30ClN5O3 580.088000 |
RSHLZHVPQJCWHK-NDEPHWFRSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1277
|
Local ready
Direct docking supported
|
|
E3L066774
LIG001344
|
cmp7a
CC(C)=CC(=O)NC1CC(=O)NC1=O
|
C9H12N2O3 196.206000 |
RSHQAELIOFFTCL-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB132
|
Local ready
Direct docking supported
|
|
E3L066775
LIG001345
|
Avadomide(CC-122)
Cc1nc2cccc(N)c2c(=O)n1C1CCC(=O)NC1=O
|
C14H14N4O3 286.291000 |
RSNPAKAFCAAMBH-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1, Protein cereblon |
BindingDB, MolGlueDB
BindingDB:BDBM76986; MolGlueDB:MGDB412
|
Local ready
Direct docking supported
|
|
E3L066781
LIG001351
|
FL1
O=C1CCC(N2C(=O)c3ccc(Nc4cccc(OS(=O)(=O)F)c4)cc3C2=O)C(=O)N1
|
C19H14FN3O7S 447.400000 |
RSPHUWOYYSNPSA-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1010
|
Local ready
Direct docking supported
|
|
E3L066782
LIG001352
|
21195
CC(C)c1nn(-c2c(Cl)cccc2Cl)c2nc(Cc3ccc(OCCO)cc3)[nH]c(=O)c12
|
C23H22Cl2N4O3 473.360000 |
RSQPNXBTPUXMQN-UHFFFAOYSA-N | P51948 | CDK-activating kinase assembly factor MAT1 |
BindingDB, MolGlueDB
BindingDB:BDBM59227; MolGlueDB:MGDB136
|
Local ready
Direct docking supported
|
|
E3L066783
LIG001353
|
DS74
Cn1cc(-c2cnn3c(NCc4nc5cc(Cl)c(Cl)cc5[nH]4)nc(N4CCOCC4)nc23)cn1
|
C21H20Cl2N10O 499.366000 |
RSUMIRUUOWUKDK-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1615
|
Local ready
Direct docking supported
|
|
E3L066784
LIG001354
|
6
COc1ccc2c(c1N)C(=O)N(C1CCC(=O)NC1=O)C2=O
|
C14H13N3O5 303.274000 |
RSZICBZLAIFNKM-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1284
|
Local ready
Direct docking supported
|
|
E3L066785
LIG001355
|
THZ531
CN(C)C/C=C/C(=O)Nc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1
|
C30H32ClN7O2 558.086000 |
RUBYHLPRZRMTJO-MOVYNIQHSA-N | P51948 | Cyclin-H |
BindingDB, MolGlueDB
BindingDB:BDBM50528813; MolGlueDB:MGDB1623
Related BindingDB:BDBM50540080
|
Local ready
Direct docking supported
|
|
E3L066786
LIG001356
|
4
CC(O)CNc1nc(NCc2ccc(-n3cccn3)cc2)c2[nH]nc(C(C)C)c2n1
|
C21H26N8O 406.494000 |
RULIOYGQJQWZQR-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB185
|
Local ready
Direct docking supported
|
|
E3L066787
LIG001357
|
LYF-106
Cc1ccc(C/C(=N\O)C(=O)NCc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)cc1Cl
|
C24H23ClN4O5 482.924000 |
RUNVWJQLUOXPTK-TURZUDJPSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1325
|
Local ready
Direct docking supported
|