| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L066229
LIG000799
|
cmp70
O=C1CCC(N2Cc3c(OCc4ccc(C(=O)N5CCN(c6ccc(Cl)cc6)CC5)cc4)cccc3C2=O)C(=O)N1
|
C31H29ClN4O5 573.049000 |
KHDVIKIXHHIKBK-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1101
|
Local ready
Direct docking supported
|
|
E3L066230
LIG000800
|
35
CCc1ccc(CNc2nc(N[C@H](CC)CO)nc3c2ncn3C(C)C)cc1
|
C21H30N6O 382.512000 |
KHFAMHMLLKOLDL-QGZVFWFLSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB433
|
Local ready
Direct docking supported
|
|
E3L066231
LIG000801
|
LYG-404
O=C1CCC(N2Cc3cc(CNC(=O)C4=Cc5ccc(F)cc5OC4)ccc3C2=O)C(=O)N1
|
C24H20FN3O5 449.438000 |
KHRACHSGFXEFFH-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1347
|
Local ready
Direct docking supported
|
|
E3L066232
LIG000802
|
11
CC(C)c1n[nH]c2c(NCc3ccc(-n4cccn4)cc3)nc(SCCN(C)C)nc12
|
C22H28N8S 436.589000 |
KHYIDMKXRIOHGS-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB147
|
Local ready
Direct docking supported
|
|
E3L066233
LIG000803
|
9
CC(C)(c1ccc(OCC2CCN(C(=O)CCCC#Cc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)cc1)c1ccc(OC[C@H](O)CCl)cc1
|
C43H46ClN3O8 768.307000 |
KILOVMKZOFCFTA-ZIQZBVCVSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1540
|
Local ready
Direct docking supported
|
|
E3L066234
LIG000804
|
DS35
CC[C@H](CO)Nc1nc(NCCCc2ccnn2C)c2ncn(C(C)C)c2n1
|
C19H30N8O 386.504000 |
KIOAZIPNMVVFAL-CQSZACIVSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1575
|
Local ready
Direct docking supported
|
|
E3L066235
LIG000805
|
LYG-206
CO/N=C(\Cc1ccc(C)c(Cl)c1)C(=O)NCc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O
|
C25H25ClN4O5 496.951000 |
KISOGWRVVMLOAJ-ZTKZIYFRSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1333
|
Local ready
Direct docking supported
|
|
E3L066236
LIG000806
|
ZXH-1-167
Cc1cc(C)c(NC2N=C(Nc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)C=CN2)c(C)c1
|
C26H28N6O3 472.549000 |
KKGUWWLGUXCJIY-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB303
|
Local ready
Direct docking supported
|
|
E3L066237
LIG000807
|
2
CSc1nc(NCc2ccc(-n3cccn3)cc2)c2[nH]nc(C(C)C)c2n1
|
C19H21N7S 379.493000 |
KKVDLZGVRGBKOA-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB758
|
Local ready
Direct docking supported
|
|
E3L066238
LIG000808
|
DS02
CC[C@H](CO)Nc1nc(NCCCCCc2ccccc2)c2ncn(C(C)C)c2n1
|
C23H34N6O 410.566000 |
KLBKESYFUKKKSS-LJQANCHMSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1567
|
Local ready
Direct docking supported
|
|
E3L066239
LIG000809
|
20
CC(C)(O)c1cc2nn([C@H]3CC[C@H](CN4CCC(O[C@H]5C[C@H](Nc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)CC4)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
|
C46H51F3N8O7 884.957000 |
KLKZEZBWHOQDRM-FDNLEIHHSA-N | Q96SW2 | Protein cereblon |
BindingDB, MolGlueDB
BindingDB:BDBM50639845; MolGlueDB:MGDB123
|
Local ready
Direct docking supported
|
|
E3L066240
LIG000810
|
ZXH-2-010
NS(=O)(=O)c1ccc(Nc2nccc(Nc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)n2)cc1
|
C23H21N7O5S 507.532000 |
KMORIVILOWXGRQ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB848
|
Local ready
Direct docking supported
|
|
E3L066241
LIG000811
|
CST837
CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(CC(=O)NCCOCCOCCOCCNC(=O)COc5cccc6c5CN(C5CCC(=O)NC5=O)C6=O)CC4)cn3)nc2n(C2CCCC2)c1=O
|
C49H61N11O11 980.093000 |
KMPGLIUMPOPVBR-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB42
|
Local ready
Direct docking supported
|
|
E3L066242
LIG000812
|
1E
CCOc1cccc(-c2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)c1
|
C21H20N2O4 364.401000 |
KMXWDJNHPQWWSI-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB502
|
Local ready
Direct docking supported
|
|
E3L066243
LIG000813
|
MG-275
O=C1CCC(N2Cc3c(CCCNC(=O)[C@@H]4NC5(CCCCC5)[C@@]5(C(=O)Nc6cc(Cl)ccc65)[C@H]4c4cccc(Cl)c4F)cccc3C2=O)C(=O)N1
|
C39H38Cl2FN5O5 746.667000 |
KNKHUJFFUZTHJK-RQZSDGGCSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1123
|
Local ready
Direct docking supported
|
|
E3L066244
LIG000814
|
3
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](C(C)C)N2Cc3ccccc3C2=O)c(O)c1
|
C29H32N4O5S 548.665000 |
KNZQRBRUYSXXRG-VTZPFEBOSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB273
|
Local ready
Direct docking supported
|
|
E3L066245
LIG000815
|
LC-02-135
O=C1CC[C@H](N2Cc3cc(-c4cnn5ccc(NC6CCC(F)(F)CC6)nc45)ccc3C2=O)C(=O)N1
|
C25H24F2N6O3 494.502000 |
KOYRQYHKBOGVHK-IBGZPJMESA-N | - | - |
MolGlueDB
MolGlueDB:MGDB919
|
Local ready
Direct docking supported
|
|
E3L066246
LIG000816
|
MG-274
O=C1CCC(N2Cc3c(NC(=O)[C@@H]4NC5(CCCCC5)[C@@]5(C(=O)Nc6cc(Cl)ccc65)[C@H]4c4cccc(Cl)c4F)cccc3C2=O)C(=O)N1
|
C36H32Cl2FN5O5 704.586000 |
KQSXPGPHCYWVSH-GLRCULSHSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1127
|
Local ready
Direct docking supported
|
|
E3L066247
LIG000817
|
NRX-1532
O=C(Nc1cccc(-c2ccn[nH]2)c1)c1ccc(C(F)(F)F)[nH]c1=O
|
C16H11F3N4O2 348.284000 |
KRFAUNDDLPKBNF-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB879
|
Local ready
Direct docking supported
|
|
E3L066248
LIG000818
|
ZZ7-16-065
CC(C)S(=O)(=O)c1ccccc1Nc1nc(N[C@@H]2CCCN(C(=O)c3ccccn3)C2)ncc1Cl
|
C24H27ClN6O3S 515.039000 |
KRHRZLLIIBCPFB-QGZVFWFLSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB166
|
Local ready
Direct docking supported
|