| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L065619
LIG000189
|
Compound 12
CC(C)(C)CC(C)(C)Nc1c(-c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)nc2ccccn12
|
C28H31N5O4 501.587000 |
CGKKMJUNHRRYMQ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB90
|
Local ready
Direct docking supported
|
|
E3L065620
LIG000190
|
AN5785
Cc1nc2c(C)cccc2cc1C(=O)N/N=C/c1c(C)[nH]c2ccccc12
|
C22H20N4O 356.429000 |
CGLMGVRMCXUULK-FSJBWODESA-N | - | - |
MolGlueDB
MolGlueDB:MGDB404
|
Local ready
Direct docking supported
|
|
E3L065621
LIG000191
|
HQ013
Nc1nc(CC(=O)Nc2nc(-c3ccco3)cs2)cs1
|
C12H10N4O2S2 306.372000 |
CGQOACVDRKDGKA-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB831
|
Local ready
Direct docking supported
|
|
E3L065622
LIG000192
|
QXG-6431
O=C1CCC(N2Cc3cc(CNC(=O)c4cnc5ccccc5c4)ccc3C2=O)C(=O)N1
|
C24H20N4O4 428.448000 |
CHCMXRWIWJYZNW-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1180
|
Local ready
Direct docking supported
|
|
E3L065624
LIG000194
|
QXG-133-4
O=C1CCC(N2Cc3cc(NC(=O)c4nc5ccccn5n4)ccc3C2=O)C(=O)N1
|
C20H16N6O4 404.386000 |
CHDBREXPALUJTD-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1073
|
Local ready
Direct docking supported
|
|
E3L065626
LIG000196
|
12
O=C1CCC(N2Cc3c(ccc4c3OCC43CCN(Cc4ccccc4)CC3(F)F)C2=O)C(=O)N1
|
C26H25F2N3O4 481.499000 |
CHGKZAOCSPXMAR-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1463
|
Local ready
Direct docking supported
|
|
E3L065627
LIG000197
|
LYG-408
O=C1CCC(N2Cc3cc(CNC(=O)C4=Cc5cccc(C(F)(F)F)c5OC4)ccc3C2=O)C(=O)N1
|
C25H20F3N3O5 499.445000 |
CHZBBRZATIPKFV-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1351
|
Local ready
Direct docking supported
|
|
E3L065628
LIG000198
|
ZXH-1-173
COc1cccc(C2N=C(Nc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)C=CN2)c1
|
C24H23N5O4 445.479000 |
CIAYRVGPYIMFRR-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB711
|
Local ready
Direct docking supported
|
|
E3L065629
LIG000199
|
36
CN(c1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O)C1CCCCC1
|
C20H23N3O4 369.421000 |
CICLADDFGUKGAL-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB513
|
Local ready
Direct docking supported
|
|
E3L065630
LIG000200
|
47
O=C1CCC(N2Cc3cc(NC(=O)c4ccccc4)ccc3C2=O)C(=O)N1
|
C20H17N3O4 363.373000 |
CIVWAWPQWLUMPF-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1061
|
Local ready
Direct docking supported
|
|
E3L065632
LIG000202
|
6d
O=C1CCC(N2Cc3c(C#CCOc4ccccc4)cccc3C2=O)C(=O)N1
|
C22H18N2O4 374.396000 |
CJFDHOWGOPCUFU-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1596
|
Local ready
Direct docking supported
|
|
E3L065633
LIG000203
|
HQ017
Cc1cccc(Nc2nc(CC(N)=O)cs2)n1
|
C11H12N4OS 248.311000 |
CJGGFDIFZWMELB-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB378
|
Local ready
Direct docking supported
|
|
E3L065634
LIG000204
|
T4
COc1cc2nc(CN3CC=C(c4ccccc4)CC3)[nH]c(=O)c2cc1OC
|
C22H23N3O3 377.444000 |
CKCSOMMBIPJYSG-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB622
|
Local ready
Direct docking supported
|
|
E3L065635
LIG000205
|
16
CN(CCCO[C@H]1C[C@H](Nc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)C1)CC1CCC(n2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(C(C)(C)O)cc3n2)CC1
|
C45H51F3N8O7 872.946000 |
CKFOAVDINFHZIR-NQDTWBIISA-N | - | - |
MolGlueDB
MolGlueDB:MGDB524
Related BindingDB:BDBM50639841; Related BindingDB:BDBM50639840
|
Local ready
Direct docking supported
|
|
E3L065636
LIG000206
|
15
CN(CCCOC1CC(Nc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)C1)CC1CCC(n2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(C(C)(C)O)cc3n2)CC1
|
C45H51F3N8O7 872.946000 |
CKFOAVDINFHZIR-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB526
|
Local ready
Direct docking supported
|
|
E3L065637
LIG000207
|
L13
CCOC(=O)C1CCCN(C(=O)c2nn(-c3cccc(C)c3)c(=O)n(Cc3ccccc3)c2=O)C1
|
C26H28N4O5 476.533000 |
CKIOMHXEBACUJC-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB493
|
Local ready
Direct docking supported
|
|
E3L065638
LIG000208
|
25
COc1cc2ccccc2cc1CNc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O
|
C25H23N3O4 429.476000 |
CKMGIUWLLVZNLI-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB739
|
Local ready
Direct docking supported
|
|
E3L065639
LIG000209
|
4
Cc1cc(-c2cn(C3CCC(=O)NC3=O)nn2)cs1
|
C12H12N4O2S 276.321000 |
CLIGYUJHYAYYGK-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1298
|
Local ready
Direct docking supported
|
|
E3L065640
LIG000210
|
14
O=C1CCC(n2cc(-c3cscc3OCc3ccc(CN4CCOCC4)cc3)nn2)C(=O)N1
|
C23H25N5O4S 467.551000 |
CLSPMJQWVLSVMZ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1307
|
Local ready
Direct docking supported
|
|
E3L065641
LIG000211
|
cmp7e
O=C1CC(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C(=O)N1
|
C11H8N4O7 308.206000 |
CMIYQSITXFRVRF-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB909
|
Local ready
Direct docking supported
|