| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L066659
LIG001229
|
Bufalin
C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](c3ccc(=O)oc3)CC[C@@]12O
|
C24H34O4 386.532000 |
QEEBRPGZBVVINN-ONGIWDLKSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB20
Related BindingDB:BDBM50584761
|
Local ready
Direct docking supported
|
|
E3L066660
LIG001230
|
SJ3149
O=C1CCC(N2Cc3cc(NC4=NOC5C=CC=CC45)ccc3C2=O)C(=O)N1
|
C20H18N4O4 378.388000 |
QEPOWTIIZZQQBU-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1082
|
Local ready
Direct docking supported
|
|
E3L066661
LIG001231
|
LIG001231
CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](N)C[C@H]1C(=O)Nc1c(F)cccc1F)C(C)(C)C
|
C21H31F2N5O3 439.507000 |
QESAPZFIIYNQSO-WXRXAMBDSA-N | Q13490 | - |
e3_ligand
e3_ligand:39
|
Local ready
Direct docking supported
|
|
E3L066662
LIG001232
|
55
O=C1CCC(N2Cc3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3C2=O)C(=O)N1
|
C21H17N3O6 407.382000 |
QFCPONCMDMLLOZ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1201
|
Local ready
Direct docking supported
|
|
E3L066663
LIG001233
|
2
O=C1CCC(n2nc3ccccc3n2)C(=O)N1
|
C11H10N4O2 230.227000 |
QFGWCBAWFMYBCK-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB219
|
Local ready
Direct docking supported
|
|
E3L066664
LIG001234
|
LC-04-044
Cc1cccc(-c2ccccc2CN2CCn3c(-c4ccc5c(c4)CN([C@H]4CCC(=O)NC4=O)C5=O)cnc3C2)c1
|
C33H31N5O3 545.643000 |
QFJVYQHQPIQNAH-NDEPHWFRSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1269
|
Local ready
Direct docking supported
|
|
E3L066665
LIG001235
|
LIG001235
O=C1CCC(N2C(=O)c3ccncc3C2=O)C(=O)N1
|
C12H9N3O4 259.221000 |
QFSZJXRBCXUCMD-UHFFFAOYSA-N | Q96SW2 | - |
e3_ligand
e3_ligand:148
|
Local ready
Direct docking supported
|
|
E3L066666
LIG001236
|
dALK-1
Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(CCCCC#Cc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1
|
C47H52ClN7O7S 894.495000 |
QFUNFXAZNXGJTI-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB281
|
Local ready
Direct docking supported
|
|
E3L066667
LIG001237
|
11
CC(=O)NCCC#Cc1cccc(N2CCC(=O)NC2=O)c1C
|
C17H19N3O3 313.357000 |
QFWGXTYWCUQWLL-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB78
|
Local ready
Direct docking supported
|
|
E3L066668
LIG001238
|
4
CC(C)(c1ccc(OCC2CCN(C(=O)CCCCCCCNc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)cc1)c1ccc(OC[C@H](O)CCl)cc1
|
C45H55ClN4O8 815.408000 |
QGZDNICFRLEYLE-PQVOGGOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1535
|
Local ready
Direct docking supported
|
|
E3L066669
LIG001239
|
29
O=C1CCC(N2Cc3cc(CN4CCN(c5cccc(Oc6ccccc6)c5)C4=O)ccc3C2=O)C(=O)N1
|
C29H26N4O5 510.550000 |
QHABCTQGDAHUSA-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1178
|
Local ready
Direct docking supported
|
|
E3L066670
LIG001240
|
8
Cn1nnc(-c2ccc3c(c2)[nH]c2ncnc(N[C@H]4CC[C@H](N(C)C)CC4)c23)n1
|
C20H25N9 391.483000 |
QHRKOXZUTFZMCS-HDJSIYSDSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1416
|
Local ready
Direct docking supported
|
|
E3L066671
LIG001241
|
LIG001241
CN[C@@H](C)C(=O)N[C@H]1CN(C(N)=O)CC[C@H]2CCC(C(=O)N[C@@H]3CCCc4ccccc43)N2C1=O
|
C25H36N6O4 484.601000 |
QHYITBCWKKKNJG-FINUNZQWSA-N | - | - |
e3_ligand
e3_ligand:71
|
Local ready
Direct docking supported
|
|
E3L066672
LIG001242
|
Z5112142520
CNC(=O)N1CC(NC(=O)Nc2ccc3c(C4CCC(=O)NC4=O)nn(C)c3c2)C1
|
C19H23N7O4 413.438000 |
QIGMYZVINDLMFJ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB597
|
Local ready
Direct docking supported
|
|
E3L066673
LIG001243
|
analogue 8
CC(C)(C(=O)NCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2)c1ccccc1
|
C24H25N3O4 419.481000 |
QIQIAQCQBUDKRM-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB79
|
Local ready
Direct docking supported
|
|
E3L066674
LIG001244
|
62
COc1ccc2c(CC(=O)Nc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)cccc2c1
|
C26H23N3O5 457.486000 |
QJBNEXUSTCCRIM-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB721
|
Local ready
Direct docking supported
|
|
E3L066675
LIG001245
|
19a
O=C1CCC(N2Cc3c(cccc3C3=C[C@]3(C(=O)OCC(Cl)(Cl)Cl)c3ccc(Br)cc3)C2=O)C(=O)N1
|
C25H18BrCl3N2O5 612.691000 |
QJPRNMFEJIIKQS-WIIYFNMSSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1088
|
Local ready
Direct docking supported
|
|
E3L066676
LIG001246
|
ZXH-1-126
CC(=O)c1ccc(-c2nccc(NCC(=O)Nc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)n2)cc1
|
C27H24N6O5 512.526000 |
QJVGYLGRXWPTER-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, MolGlueDB
BindingDB:BDBM585784; MolGlueDB:MGDB47
|
Local ready
Direct docking supported
|
|
E3L066677
LIG001247
|
cmpd 15
O=C1CCC(N2C(=O)c3cccc(Nc4ccnc(NS(=O)(=O)c5ccc(Cl)cc5)n4)c3C2=O)C(=O)N1
|
C23H17ClN6O6S 540.945000 |
QKGRRALQXCHRCY-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1033
|
Local ready
Direct docking supported
|
|
E3L066678
LIG001248
|
5
CC1CC(O)CN(c2ncc(Cl)c(Nc3ccc4c(c3)n(CCC(C)(C)O)c(=O)n4C)n2)C1
|
C23H31ClN6O3 474.993000 |
QKIKTQLOBNLUOX-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB424
Related BindingDB:BDBM50606285; Related BindingDB:BDBM699656
|
Local ready
Direct docking supported
|