| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L066208
LIG000778
|
15
CC(C)(c1ccc(OCC2CCN(C3CN(C(=O)CCNc4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)CC2)cc1)c1ccc(OC[C@H](O)CCl)cc1
|
C43H50ClN5O8 800.353000 |
KBBSNKVVFSTZTN-ZIQZBVCVSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1546
|
Local ready
Direct docking supported
|
|
E3L066209
LIG000779
|
JP-2-249
COc1ccc(C(=O)/C=C/C(=O)N2CCN(c3cc(-c4ccccc4O)nnc3N)CC2)cc1
|
C25H25N5O4 459.506000 |
KBSAPXILKARMEB-ZHACJKMWSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB653
|
Local ready
Direct docking supported
|
|
E3L066210
LIG000780
|
ZXH-1-161
O=C1CCC(N2Cc3c(Nc4ccnc(Nc5ccc6c(c5)CCC6)n4)cccc3C2=O)C(=O)N1
|
C26H24N6O3 468.517000 |
KCIIVRZRNLZKQA-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1143
|
Local ready
Direct docking supported
|
|
E3L066211
LIG000781
|
ALV-07-037-02
CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(CCOCCOCCOc5ccc(CN6CCC(c7ccc8c(c7)CN(C7CCC(=O)NC7=O)C8=O)CC6)cc5)CC4)cn3)nc2n(C2CCCC2)c1=O
|
C55H66N10O8 995.195000 |
KCZZWEOYZDCTCL-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1527
|
Local ready
Direct docking supported
|
|
E3L066212
LIG000782
|
AN5729
Cc1nc2ccccc2cc1C(=O)N/N=C/c1cccc([N+](=O)[O-])c1
|
C18H14N4O3 334.335000 |
KDCISUOJYKQONI-YBFXNURJSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB414
|
Local ready
Direct docking supported
|
|
E3L066213
LIG000783
|
ITE
COC(=O)c1csc(C(=O)c2c[nH]c3ccccc23)n1
|
C14H10N2O3S 286.312000 |
KDDXOGDIPZSCTM-UHFFFAOYSA-N | P35869 | - |
e3_ligand
e3_ligand:44
|
Local ready
Direct docking supported
|
|
E3L066214
LIG000784
|
cmp32
N#Cc1cccnc1N1CCN(Cc2ccc(COc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)cc2)CC1
|
C31H30N6O4 550.619000 |
KDMWYMMFHRTJOT-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB771
|
Local ready
Direct docking supported
|
|
E3L066215
LIG000785
|
23
CC(C)(c1ccc(OCC2COC2)cc1)c1cc(Cl)c(OCC2CCN(C(=O)CCCCNc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)c(C#N)c1
|
C44H48ClN5O8 810.348000 |
KEIWVWJOZPKFPB-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1554
|
Local ready
Direct docking supported
|
|
E3L066216
LIG000786
|
36
O=c1ccn(-c2ccccc2)c(=O)[nH]1
|
C10H8N2O2 188.186000 |
KELXKKNILLDRLS-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, MolGlueDB
BindingDB:BDBM581736; MolGlueDB:MGDB893
|
Local ready
Direct docking supported
|
|
E3L066217
LIG000787
|
ML 1-16
COc1c(NC(=O)C[C@@H]2N=C(c3ccc(Cl)cc3)c3c(sc(C)c3C)-n3c(C)nnc32)c(=O)c1=O
|
C24H20ClN5O4S 509.975000 |
KERUNHBYHRLQQU-HNNXBMFYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB621
|
Local ready
Direct docking supported
|
|
E3L066218
LIG000788
|
cmp68
O=C1CCC(N2Cc3c(OCc4ccc(C(=O)N5CCN(c6ccc(F)cc6F)CC5)cc4)cccc3C2=O)C(=O)N1
|
C31H28F2N4O5 574.584000 |
KETBEUWIOVDOEG-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1100
|
Local ready
Direct docking supported
|
|
E3L066219
LIG000789
|
20
CC(C)c1n[nH]c2c(NCc3ccc(-c4cnc[nH]4)cc3)nc(SCCO)nc12
|
C20H23N7OS 409.519000 |
KEYHGFKXGAHVFE-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB137
|
Local ready
Direct docking supported
|
|
E3L066220
LIG000790
|
Lib-B-18F
Cc1cc(OCc2ccccc2)ccc1/C=N/NC(=O)COc1ccccc1-c1cccc2c1CN(C1CCC(=O)NC1=O)C2=O
|
C36H32N4O6 616.674000 |
KFACJLOIPHPRJY-SAEPALGJSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB311
|
Local ready
Direct docking supported
|
|
E3L066221
LIG000791
|
7a
O=C1CCC(NC(=O)c2cccc([N+](=O)[O-])c2)C(=O)N1
|
C12H11N3O5 277.236000 |
KFEPYHDPGSBMKB-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB903
|
Local ready
Direct docking supported
|
|
E3L066222
LIG000792
|
15
CCCCNc1ccc(C(=O)NC2CCC(=O)NC2=O)c(F)c1
|
C16H20FN3O3 321.352000 |
KGCOGSOWVBFTKN-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, MolGlueDB
BindingDB:BDBM50630602; MolGlueDB:MGDB445
|
Local ready
Direct docking supported
|
|
E3L066223
LIG000793
|
PROTAC K-Ras
C=CC(=O)N1CCN(c2nc(OC[C@@H]3C[C@@H](OCCOCCOCCOCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CN3C)nc3c2CCN(c2cccc4ccccc24)C3)C[C@@H]1CC#N
|
C53H62N10O10 999.139000 |
KGFCORDWMRCVAC-VYIZRSQBSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB33
|
Local ready
Direct docking supported
|
|
E3L066224
LIG000794
|
Entry 5
CN1CCN([C@@H]2CCCN(c3cnc(C(N)=O)c(Nc4ccc(C5CCN(C(=O)CCOCCNc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)cc4)n3)C2)C1=O
|
C43H51N11O8 849.950000 |
KGHDNYQIHSSPRB-UYEDPJPISA-N | - | - |
MolGlueDB
MolGlueDB:MGDB565
|
Local ready
Direct docking supported
|
|
E3L066225
LIG000795
|
QXG-131-3
COc1cccn2cc(C(=O)Nc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc12
|
C22H19N5O5 433.424000 |
KGLGAVMTVVETFT-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB720
|
Local ready
Direct docking supported
|
|
E3L066227
LIG000797
|
41
COc1ccc2nc(C(=O)Nc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)ccc2c1
|
C24H20N4O5 444.447000 |
KGOVKOKKVYFUAP-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB706
|
Local ready
Direct docking supported
|
|
E3L066228
LIG000798
|
DS32
CC[C@H](CO)Nc1nc(NCCCC2CCCCC2)c2ncn(C(C)C)c2n1
|
C21H36N6O 388.560000 |
KGVLTKVGMBVELD-QGZVFWFLSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1591
|
Local ready
Direct docking supported
|