| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L065861
LIG000431
|
22
CC(C)c1n[nH]c2c(NCc3ccc(-c4cnccn4)cc3)nc(SCCO)nc12
|
C21H23N7OS 421.530000 |
GGISWBAVIMDSQJ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB139
|
Local ready
Direct docking supported
|
|
E3L065862
LIG000432
|
SJPYT-228
COc1ccc(OC)c(-n2nnc(C(=O)Nc3cc(OCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc(C(C)(C)C)c3)c2C)c1
|
C37H39N7O8 709.760000 |
GGJYRMTULDMAGC-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB692
|
Local ready
Direct docking supported
|
|
E3L065863
LIG000433
|
31
COc1cc2nc([C@H]3CC[C@H](CN4CC5(CC(CCNc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)C4)CC3)sc2cc1NC(=O)c1cccc(C(F)(F)F)n1
|
C43H44F3N7O6S 843.929000 |
GGLDJOKYIXMCFR-CCHHBTKDSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB724
|
Local ready
Direct docking supported
|
|
E3L065864
LIG000434
|
(R,S)-2c
Cc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)C(C)C)[C@H]2CCC(=O)NC2=O)cc1
|
C22H31N3O4 401.507000 |
GHCIPEYKTSOQPE-FUHWJXTLSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB314
|
Local ready
Direct docking supported
|
|
E3L065865
LIG000435
|
(S,S)-2c
Cc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)C(C)C)[C@H]2CCC(=O)NC2=O)cc1
|
C22H31N3O4 401.507000 |
GHCIPEYKTSOQPE-WMZOPIPTSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB313
|
Local ready
Direct docking supported
|
|
E3L065866
LIG000436
|
NVS2.1
CC(C)c1cc2c(c(=O)c3ccccc3n2C)c(=O)n1-c1ccccc1
|
C22H20N2O2 344.414000 |
GHUBGMLACFUDTC-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1443
|
Local ready
Direct docking supported
|
|
E3L065867
LIG000437
|
9
Cc1c(OCC(=O)N2CCCCC2)cccc1N1CCC(=O)NC1=O
|
C18H23N3O4 345.399000 |
GHXSJGGNKQYHDF-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB298
|
Local ready
Direct docking supported
|
|
E3L065868
LIG000438
|
Compound 2f
Nc1ccccc1NC(=O)c1ccc(CNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1
|
C27H23N5O5 497.511000 |
GIEVQQNUOQCQQT-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB822
|
Local ready
Direct docking supported
|
|
E3L065869
LIG000439
|
LYG-202
NC(Cc1ccc(F)cc1)C(=O)NCc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O
|
C23H23FN4O4 438.459000 |
GIOHIZARHKCBNJ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1329
|
Local ready
Direct docking supported
|
|
E3L065870
LIG000440
|
23
CC(C)n1nc(N)c2nc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)cc(CN3CCCC3)c21
|
C27H31N7O3 501.591000 |
GIPDBGRBDCKLCK-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1514
|
Local ready
Direct docking supported
|
|
E3L065871
LIG000441
|
L11
Cc1ccc(-n2nc(C(=O)N3CCCC(C(=O)N(C)C)C3)c(=O)n(Cc3ccccc3)c2=O)cc1C
|
C27H31N5O4 489.576000 |
GIUMBJIHLACNSA-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB327
|
Local ready
Direct docking supported
|
|
E3L065872
LIG000442
|
24
CNC(=O)C1CCN(C(=O)c2oc(S(=O)(=O)NC3=CC=C(Cl)C4=C(Cl)C=NC34)cc2C)CC1
|
C21H22Cl2N4O5S 513.403000 |
GIWNMCGMJVZFCW-UHFFFAOYSA-N | Q66K64 | - |
e3_ligand
e3_ligand:128
|
Local ready
Direct docking supported
|
|
E3L065873
LIG000443
|
59
O=C1CCC(N2C(=O)c3ccc(-c4csc5ccccc45)cc3C2=O)C(=O)N1
|
C21H14N2O4S 390.420000 |
GJTKFTCKOOBNQC-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB952
|
Local ready
Direct docking supported
|
|
E3L065874
LIG000444
|
Z6032284739
O=C1CCC(n2cc(-c3ccc(Br)cc3Cl)nn2)C(=O)N1
|
C13H10BrClN4O2 369.606000 |
GKKNWYJKYSWJSG-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1044
|
Local ready
Direct docking supported
|
|
E3L065875
LIG000445
|
LYG-405
O=C1CCC(N2Cc3cc(CNC(=O)C4=Cc5cccc(F)c5OC4)ccc3C2=O)C(=O)N1
|
C24H20FN3O5 449.438000 |
GKWYDHPNILZIED-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1348
|
Local ready
Direct docking supported
|
|
E3L065876
LIG000446
|
EN106
N#CCCN(C(=O)CCl)c1ccc2c(c1)OCCO2
|
C13H13ClN2O3 280.711000 |
GLDJSVHDOXCYPT-UHFFFAOYSA-N | Q9UK73 | - |
e3_ligand
e3_ligand:81
|
Local ready
Direct docking supported
|
|
E3L065877
LIG000447
|
7
COC(=O)c1ccc2[nH]c3nc(Cc4ccccc4)nc(N[C@H]4CC[C@H](N)CC4)c3c2c1
|
C25H27N5O2 429.524000 |
GLGRMKZNWFEZMS-IYARVYRRSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1415
|
Local ready
Direct docking supported
|
|
E3L065878
LIG000448
|
NE-011
Nc1cc(Cl)cc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
|
C13H10ClN3O4 307.693000 |
GLGXKSMMLMERPI-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB790
|
Local ready
Direct docking supported
|
|
E3L065880
LIG000450
|
QXG-6432
O=C1CCC(N2Cc3cc(NC(=O)c4cnc5ccccc5c4)ccc3C2=O)C(=O)N1
|
C23H18N4O4 414.421000 |
GLIBRRMRYUZHHU-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1209
|
Local ready
Direct docking supported
|
|
E3L065882
LIG000452
|
4c
COC(=O)c1nc(NC(=O)Cn2cnc3c(c2=O)CCC3)sc1CCc1ccccc1
|
C22H22N4O4S 438.509000 |
GMKNNKXZQLTCBB-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1473
|
Local ready
Direct docking supported
|