| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L066336
LIG000906
|
E7820
Cc1ccc(NS(=O)(=O)c2cccc(C#N)c2)c2[nH]cc(C#N)c12
|
C17H12N4O2S 336.376000 |
LWGUASZLXHYWIV-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, MolGlueDB
BindingDB:BDBM50635842; MolGlueDB:MGDB360
|
Local ready
Direct docking supported
|
|
E3L066339
LIG000909
|
47
O=C1CCC(N2C(=O)c3cc(F)c(N4CC5(COC5)C4)cc3C2=O)C(=O)N1
|
C18H16FN3O5 373.340000 |
LWNBGYSIQYTSRC-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB989
|
Local ready
Direct docking supported
|
|
E3L066340
LIG000910
|
67
COc1ccc(Oc2cccc(C(=O)Nc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)c2)cc1
|
C27H23N3O6 485.496000 |
LWWKIWAZJUFBAX-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB695
|
Local ready
Direct docking supported
|
|
E3L066341
LIG000911
|
9q
COc1ccc(-c2ccc3[nH]c(=O)c4nnn(-c5ccc(N6CCN(C(=O)/C=C/C(=O)c7ccc(Cl)cc7)CC6)c(C(F)(F)F)c5)c4c3c2)cn1
|
C36H27ClF3N7O4 714.104000 |
LXQJBLORCVZWNT-ACCUITESSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB670
|
Local ready
Direct docking supported
|
|
E3L066342
LIG000912
|
JP-2-224
COc1ccc(C(=O)/C=C/C(=O)N2CCN(c3ccc(-c4csc(N5CCOCC5)n4)cc3)CC2)cc1
|
C28H30N4O4S 518.639000 |
LXVVNCSUUWVSBL-ZHACJKMWSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB655
|
Local ready
Direct docking supported
|
|
E3L066343
LIG000913
|
Compound 3f
Nc1cc(F)ccc1NC(=O)c1ccc(CNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1
|
C27H22FN5O5 515.501000 |
LYISLTYEXFTYAC-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB792
|
Local ready
Direct docking supported
|
|
E3L066344
LIG000914
|
LYG-306
O=C1CCC(N2Cc3cc(CNC(=O)c4cc(=O)c5ccccc5o4)ccc3C2=O)C(=O)N1
|
C24H19N3O6 445.431000 |
MALSMRNJJIWSSN-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1340
|
Local ready
Direct docking supported
|
|
E3L066345
LIG000915
|
EST1051
CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCN(C(=O)/C=C/c5cccc(C(F)(F)F)c5)CC4)cn3)nc2n1C1CCCC1
|
C33H35F3N8O2 632.691000 |
MAMMPSXXACWRFF-JLHYYAGUSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB508
|
Local ready
Direct docking supported
|
|
E3L066346
LIG000916
|
7
CC(C)(c1ccc(OCC2CCN(C(=O)CCCCCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)cc1)c1ccc(OC[C@H](O)CCl)cc1
|
C44H53ClN4O8 801.381000 |
MBCAEMMCNMJRRU-ZIQZBVCVSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1538
|
Local ready
Direct docking supported
|
|
E3L066347
LIG000917
|
Compound 3
COc1ccc2c(c1)sc1nc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)c(NCc3ccccc3)n12
|
C30H25N5O4S 551.628000 |
MBJIENHTLFHQHB-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB697
|
Local ready
Direct docking supported
|
|
E3L066348
LIG000918
|
NE-009
Nc1cc(O)cc2c1CN(C1CCC(=O)NC1=O)C2=O
|
C13H13N3O4 275.264000 |
MBLVEZIEUGIOFJ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB795
|
Local ready
Direct docking supported
|
|
E3L066349
LIG000919
|
27
CC(C)(c1ccc(OCC2CCN(S(C)(=O)=O)CC2)cc1)c1cc(Cl)c(OCC2CCN(C(=O)CCCCNc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)c(C#N)c1
|
C47H55ClN6O9S 915.510000 |
MCDFMCVVHFOGFN-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1558
|
Local ready
Direct docking supported
|
|
E3L066350
LIG000920
|
13-7
CC(=O)NCCN(c1nc(N2CC(Oc3nccs3)C2)nc(N2CC3C(CCOc4cc(-c5scnc5C)ccc4CNC(=O)[C@@H]4C[C@@H](O)CN4C(=O)[C@@H](NC(=O)C4(F)CC4)C(C)(C)C)C3C2)n1)C(C)C
|
C49H65FN12O7S2 1017.268000 |
MCHONAYJGRIMOE-GUQIOIHDSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1452
|
Local ready
Direct docking supported
|
|
E3L066351
LIG000921
|
29
O=C1CCC(N2Cc3cc(-c4cc(CN5CCCC5)c5[nH]nc(NC6COC6)c5n4)ccc3C2=O)C(=O)N1
|
C27H29N7O4 515.574000 |
MCNVRDRTTNAXGD-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, MolGlueDB
BindingDB:BDBM755950; MolGlueDB:MGDB1520
|
Local ready
Direct docking supported
|
|
E3L066352
LIG000922
|
dALK-11
Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(CCC(=O)N2CC3(C2)CN(c2ccc4c(c2)C(=O)N(C2CCC(=O)NC2=O)C4=O)C3)CC1
|
C49H56ClN9O8S 966.562000 |
MCXOMUDHLZHVJO-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB276
|
Local ready
Direct docking supported
|
|
E3L066353
LIG000923
|
ML-1-10
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Nc1ccc(S(=O)(=O)F)cc1)c1nnc(C)n1-2
|
C25H21ClFN5O3S2 558.060000 |
MDFUTVOXKVZRTF-FQEVSTJZSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB256
|
Local ready
Direct docking supported
|
|
E3L066354
LIG000924
|
3
CC(C)(C)[C@H](NC(=O)c1cnn2c1CCCC2)C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(-c2ccc(Cl)cc2Cl)cc1
|
C32H37Cl2N5O4 626.585000 |
MDJIYUGFMRKXEZ-KKVCJECGSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1448
|
Local ready
Direct docking supported
|
|
E3L066355
LIG000925
|
12
Nc1c(F)ccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
|
C13H10FN3O4 291.238000 |
MDRKOGRVOWMMDN-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1287
|
Local ready
Direct docking supported
|
|
E3L066356
LIG000926
|
cmp11b
NCc1ccc(COC(=O)NC2CCC(=O)NC2=O)cc1
|
C14H17N3O4 291.307000 |
MEHQHZVMTHSWLK-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB856
|
Local ready
Direct docking supported
|
|
E3L066357
LIG000927
|
30
CC[C@H](CO)Nc1nc(NCc2ccc(-c3cn(C)cn3)cc2)c2ncn(C(C)C)c2n1
|
C23H30N8O 434.548000 |
MEOAWMPELZDESZ-GOSISDBHSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB212
|
Local ready
Direct docking supported
|