| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L067172
LIG001742
|
QXG-133-3
O=C1CCC(N2Cc3cc(NC(=O)c4cc5ccccn5n4)ccc3C2=O)C(=O)N1
|
C21H17N5O4 403.398000 |
WLWOVPHCBDZPAV-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1072
|
Local ready
Direct docking supported
|
|
E3L067174
LIG001744
|
6i
O=Cc1ccc(OCCCC#Cc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)cc1
|
C25H22N2O5 430.460000 |
WMORCRKQKRENMD-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1372
|
Local ready
Direct docking supported
|
|
E3L067175
LIG001745
|
9
CC(C)c1n[nH]c2c(NCc3ccc(-n4cccn4)cc3)nc(SCC(O)CO)nc12
|
C21H25N7O2S 439.545000 |
WNFSISAPJXGCIK-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB145
|
Local ready
Direct docking supported
|
|
E3L067176
LIG001746
|
6b
O=C1CCC(N2Cc3c(C#CCNCc4ccccc4)cccc3C2=O)C(=O)N1
|
C23H21N3O3 387.439000 |
WNIMAYDLDGKUMQ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1366
|
Local ready
Direct docking supported
|
|
E3L067177
LIG001747
|
SJPYT-223
COc1ccc(OC)c(-n2nnc(C(=O)Nc3cc(OC(=O)Nc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc(C(C)(C)C)c3)c2C)c1
|
C36H35N7O9 709.716000 |
WNNKTTHYNXYDLN-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB690
|
Local ready
Direct docking supported
|
|
E3L067178
LIG001748
|
60
O=C1CCC(N2Cc3cc(NC(=O)c4ccc5occc5c4)ccc3C2=O)C(=O)N1
|
C22H17N3O5 403.394000 |
WOCJTQKFCZJBHU-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1199
|
Local ready
Direct docking supported
|
|
E3L067179
LIG001749
|
T12
O=C(COCCOCCOCc1ccccc1)NCc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
|
C27H29N3O8 523.542000 |
WOIMTIMMYALYGH-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB876
|
Local ready
Direct docking supported
|
|
E3L067180
LIG001750
|
C3
CCOC(=O)C1CCCN(C(=O)c2nn(-c3ccc(C)c(C)c3)c(=O)n(Cc3cccc(Cl)c3)c2=O)C1
|
C27H29ClN4O5 525.005000 |
WPHBOIMVDVOEAA-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1433
|
Local ready
Direct docking supported
|
|
E3L067181
LIG001751
|
10
CC(C)c1n[nH]c2c(NCc3ccc(-n4cccn4)cc3)nc(SCCN)nc12
|
C20H24N8S 408.535000 |
WPTKXNSXFLKMKA-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB148
|
Local ready
Direct docking supported
|
|
E3L067182
LIG001752
|
analogue 5
O=C(Cc1ccccc1)NCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2
|
C22H21N3O4 391.427000 |
WPWQDFFIGHUQPE-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB859
|
Local ready
Direct docking supported
|
|
E3L067183
LIG001753
|
LL-K12-9
CCn1cnc2c(NCc3nc4cc(Cl)c(Cl)cc4[nH]3)nc(N3CCn4ncnc4C3)nc21
|
C20H19Cl2N11 484.355000 |
WPXBBDDWRXMCMP-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB476
|
Local ready
Direct docking supported
|
|
E3L067184
LIG001754
|
LIG001754
COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2
|
C14H14N2O4 274.276000 |
WQBYRVHGTFSBTA-UHFFFAOYSA-N | Q96SW2 | - |
e3_ligand
e3_ligand:66
|
Local ready
Direct docking supported
|
|
E3L067185
LIG001755
|
JP-2-219
COc1ccc(C(=O)/C=C/C(=O)NCCNC(=O)C[C@@H]2N=C(c3ccc(Cl)cc3)c3c(sc(C)c3C)-n3c(C)nnc32)cc1
|
C32H31ClN6O4S 631.158000 |
WQULPQFWJRMNEZ-AAJFVQQISA-N | - | - |
MolGlueDB
MolGlueDB:MGDB659
|
Local ready
Direct docking supported
|
|
E3L067186
LIG001756
|
DS68
CC[C@H](CO)Nc1nc(NCCCc2cccc(O)c2)c2ncn(C(C)C)c2n1
|
C21H30N6O2 398.511000 |
WREYDFZOQPABSD-MRXNPFEDSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1584
|
Local ready
Direct docking supported
|
|
E3L067187
LIG001757
|
27
CC[C@H](CO)Nc1nc(NCc2ccc(C3CCCC3)cc2)c2ncn(C(C)C)c2n1
|
C24H34N6O 422.577000 |
WRIMMJYLLMRSIU-HXUWFJFHSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB220
|
Local ready
Direct docking supported
|
|
E3L067188
LIG001758
|
Lib-B-4M
Cc1ccccc1COc1ccccc1/C=N/NC(=O)COc1ccccc1-c1cccc2c1CN(C1CCC(=O)NC1=O)C2=O
|
C36H32N4O6 616.674000 |
WRLFJIDVAZBSNX-SAEPALGJSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB290
|
Local ready
Direct docking supported
|
|
E3L067189
LIG001759
|
1I
CC(C)(C)OC(=O)COc1ccccc1-c1cccc2c1CN(C1CCC(=O)NC1=O)C2=O
|
C25H26N2O6 450.491000 |
WRWFOIZKTDSLQW-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB103
|
Local ready
Direct docking supported
|
|
E3L067190
LIG001760
|
5
CC(C)(c1ccc(OCC2CCN(C(=O)CCCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)cc1)c1ccc(OC[C@H](O)CCl)cc1
|
C42H49ClN4O8 773.327000 |
WSIIAKJJODLWPL-OSRRZMJMSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1536
|
Local ready
Direct docking supported
|
|
E3L067191
LIG001761
|
compound 9
COc1ccc2c(c1)nnn2C1CCC(=O)NC1=O
|
C12H12N4O3 260.253000 |
WSKMGFBAXVRLLX-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB696
|
Local ready
Direct docking supported
|
|
E3L067192
LIG001762
|
30
COc1c(CNc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)ccc2ccccc12
|
C25H23N3O4 429.476000 |
WSTVJBZLYMTKOS-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB619
|
Local ready
Direct docking supported
|