| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L065642
LIG000212
|
DS20
CC[C@H](CO)Nc1nc(NCc2ccc(-c3ccccn3)cc2)c2ncn(-c3cnn(C)c3)c2n1
|
C25H27N9O 469.553000 |
CMKJPMLFJKPBRU-LJQANCHMSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB205
|
Local ready
Direct docking supported
|
|
E3L065643
LIG000213
|
AN5741
Cc1nc2ccccc2cc1C(=O)N/N=C/c1cccnc1
|
C17H14N4O 290.326000 |
CMQFCTZVAATYDJ-YBFXNURJSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB416
|
Local ready
Direct docking supported
|
|
E3L065644
LIG000214
|
25
CC(=O)N1CCN(c2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1
|
C19H20N4O5 384.392000 |
CMUGGXRWRAFAGN-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB63
|
Local ready
Direct docking supported
|
|
E3L065645
LIG000215
|
BXT-161
Cc1cccc2c1CN([C@H]1CCCC(=O)NC1=O)C2=O
|
C15H16N2O3 272.304000 |
CNIZBMYCKRUTHY-LBPRGKRZSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB383
|
Local ready
Direct docking supported
|
|
E3L065646
LIG000216
|
dALK-10
CCc1cc2c(cc1N1CCC(N3CCN(C(=O)/C=C/C(=O)c4ccc(OC)cc4)CC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O
|
C41H43N5O4 669.826000 |
CNYHEWJDNKBWLA-OUKQBFOZSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1428
|
Local ready
Direct docking supported
|
|
E3L065647
LIG000217
|
63
CC(C)(C)C(=O)Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
|
C18H19N3O5 357.366000 |
COQULQYYXYGRFI-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB80
|
Local ready
Direct docking supported
|
|
E3L065648
LIG000218
|
12
CC(C)(c1ccc(OCC2CCN(C(=O)CCCCCOc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)cc1)c1ccc(OC[C@H](O)CCl)cc1
|
C43H50ClN3O9 788.338000 |
CPXRHXIKWKRZBQ-XWIDTHKNSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1543
|
Local ready
Direct docking supported
|
|
E3L065649
LIG000219
|
DS29
CC[C@H](CO)Nc1nc(NCCCc2cccc(F)c2)c2ncn(C(C)C)c2n1
|
C21H29FN6O 400.502000 |
CQVNQDCOBDXVMZ-QGZVFWFLSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1583
|
Local ready
Direct docking supported
|
|
E3L065650
LIG000220
|
3
O=C1CCC(N2C(=O)c3cccc(F)c3C2=O)C(=O)N1
|
C13H9FN2O4 276.223000 |
CRAUTELYXAAAPW-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, MolGlueDB
BindingDB:BDBM511648; MolGlueDB:MGDB1023
|
Local ready
Direct docking supported
|
|
E3L065652
LIG000222
|
LYG-203
CC(=O)NC(Cc1ccc(F)cc1)C(=O)NCc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O
|
C25H25FN4O5 480.496000 |
CRFKOIJUYCLAIV-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1330
|
Local ready
Direct docking supported
|
|
E3L065653
LIG000223
|
42
CC(C)(C)OC(=O)N1CCC2(CC1)CCN(c1ccc3c(c1)C(=O)N(C1CCC(=O)NC1=O)C3=O)CC2
|
C27H34N4O6 510.591000 |
CRKWWYGNDADDNI-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB109
|
Local ready
Direct docking supported
|
|
E3L065654
LIG000224
|
Lib-B-15O
O=C(COc1ccccc1-c1cccc2c1CN(C1CCC(=O)NC1=O)C2=O)N/N=C/c1cn(S(=O)(=O)c2ccccc2)c2ccccc12
|
C36H29N5O7S 675.723000 |
CSBJYYCCSYHJQD-SAEPALGJSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB871
|
Local ready
Direct docking supported
|
|
E3L065655
LIG000225
|
16
O=C1CCC(N2Cc3cc(NC(=O)c4nc5ccccc5[nH]4)ccc3C2=O)C(=O)N1
|
C21H17N5O4 403.398000 |
CSFMNDABCGEUMH-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1310
|
Local ready
Direct docking supported
|
|
E3L065656
LIG000226
|
7d
O=C1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2F)C(=O)N1
|
C12H10FN3O5 295.226000 |
CSOFOICJBYMWDE-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB5
|
Local ready
Direct docking supported
|
|
E3L065657
LIG000227
|
HQ023
CCc1ccccc1NC(=O)Cc1csc(Nc2ccccn2)n1
|
C18H18N4OS 338.436000 |
CSOGCNNXYMAZIQ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB436
|
Local ready
Direct docking supported
|
|
E3L065658
LIG000228
|
2L
CC(C)(C)OC(=O)NCCOc1ccccc1-c1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O
|
C26H29N3O6 479.533000 |
CTMBWJZRICUJKY-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB118
|
Local ready
Direct docking supported
|
|
E3L065659
LIG000229
|
4F
CC(C)(C)OC(=O)NCC#Cc1cccc(N2CCC(=O)NC2=O)c1
|
C18H21N3O4 343.383000 |
CTPAIHOLMQBFAW-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB113
|
Local ready
Direct docking supported
|
|
E3L065660
LIG000230
|
29
CC(C)(c1ccc(OCc2ccncn2)cc1)c1cc(Cl)c(OCC2CCN(C(=O)CCCCNc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)c(C#N)c1
|
C45H46ClN7O7 832.358000 |
CTRLHSATZTWNFG-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1560
|
Local ready
Direct docking supported
|
|
E3L065661
LIG000231
|
CQS
Nc1ccc(S(=O)(=O)Nc2cnc3c(Cl)cccc3n2)cc1
|
C14H11ClN4O2S 334.788000 |
CTSNHMQGVWXIEG-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1407
|
Local ready
Direct docking supported
|
|
E3L065662
LIG000232
|
R5
O=C1CCC(NC(=O)C2CCNc3ccccc32)C(=O)N1
|
C15H17N3O3 287.319000 |
CTVJOMHYRHQHLU-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1385
Related BindingDB:BDBM631116; Related BindingDB:BDBM631110; Related BindingDB:BDBM631117; Related BindingDB:BDBM631105; Related BindingDB:BDBM631112; Related BindingDB:BDBM631106
|
Local ready
Direct docking supported
|