| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L066591
LIG001161
|
29
CN(C)c1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
|
C15H15N3O4 301.302000 |
PJDYHYUEBYWAOR-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB510
|
Local ready
Direct docking supported
|
|
E3L066592
LIG001162
|
ALV-07-082-03
CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(CCOc5ccc(CN6CCC(c7ccc8c(c7)CN(C7CCC(=O)NC7=O)C8=O)CC6)cc5)CC4)cn3)nc2n(C2CCCC2)c1=O
|
C51H58N10O6 907.089000 |
PJLUKTVSGYDGFZ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1531
|
Local ready
Direct docking supported
|
|
E3L066593
LIG001163
|
LC-04-100
O=C1CC[C@H](N2Cc3cc(-c4cnc5n4CCN(Cc4ccccc4-c4ccccc4F)C5)ccc3C2=O)C(=O)N1
|
C32H28FN5O3 549.606000 |
PKDRXYPWJLCOGD-MHZLTWQESA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1272
|
Local ready
Direct docking supported
|
|
E3L066594
LIG001164
|
UOM-005603
CN(C)c1ccc(CC(=O)Nc2nc3ccccc3[nH]2)cc1
|
C17H18N4O 294.358000 |
PKKDJXVTQNBZJX-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1489
|
Local ready
Direct docking supported
|
|
E3L066595
LIG001165
|
ZXH-1-162
CCN(Cc1ccccc1)C1N=CC=C(NCC(=O)Nc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)N1
|
C28H31N7O4 529.601000 |
PKTRWERTFLRWAU-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB459
|
Local ready
Direct docking supported
|
|
E3L066596
LIG001166
|
20
O=C1CCC(N2Cc3cc(NCc4ccc5cc(Br)ccc5c4)ccc3C2=O)C(=O)N1
|
C24H20BrN3O3 478.346000 |
PKZBQAQTVKTZGQ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1224
|
Local ready
Direct docking supported
|
|
E3L066597
LIG001167
|
4b
COC(=O)c1nc(NC(=O)Cn2cnccc2=O)sc1CCc1ccccc1
|
C19H18N4O4S 398.444000 |
PLMURMOBFKONAO-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1472
|
Local ready
Direct docking supported
|
|
E3L066598
LIG001168
|
20
O=C1CCC(N2Cc3cc(CNC(=O)Nc4c(Cl)cc(Cl)cc4Cl)ccc3C2=O)C(=O)N1
|
C21H17Cl3N4O4 495.750000 |
PLNAZLLLWBOGRU-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1182
|
Local ready
Direct docking supported
|
|
E3L066599
LIG001169
|
DS56
Cn1cc(-n2cnc3c(NCc4cc5ccccc5[nH]4)nc(N4CCOCC4)nc32)cn1
|
C22H23N9O 429.488000 |
PLRLOVBJWXQYFG-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1612
|
Local ready
Direct docking supported
|
|
E3L066600
LIG001170
|
30
O=C1CCC(N2C(=O)c3ccc(N4CCC4)cc3C2=O)C(=O)N1
|
C16H15N3O4 313.313000 |
PLWVUWVWDWCTHA-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, MolGlueDB
BindingDB:BDBM50628759; MolGlueDB:MGDB1006
|
Local ready
Direct docking supported
|
|
E3L066601
LIG001171
|
LIG001171
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cncc(C(=O)c2ccc(F)cc2)c1)C1CCCCC1
|
C28H35FN4O3 494.611000 |
PLYJYKAWZXEBFC-WDNCENIBSA-N | - | - |
e3_ligand
e3_ligand:57
|
Local ready
Direct docking supported
|
|
E3L066602
LIG001172
|
41
CC(C)(C)OC(=O)N1CCN(c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1
|
C22H26N4O6 442.472000 |
PMKVKOLFYHLKAP-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB112
|
Local ready
Direct docking supported
|
|
E3L066603
LIG001173
|
TH 1-9
C=CS(=O)(=O)N1CCN(c2ccc(Nc3ncc4cc(C(=O)N(C)C)n(C5CCCC5)c4n3)nc2)CC1
|
C25H32N8O3S 524.651000 |
PMOKOEHMLYSRLX-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB38
|
Local ready
Direct docking supported
|
|
E3L066605
LIG001175
|
GNE-0011
Cc1sc2c(c1C)C(c1ccc(C#CCN)cc1)=N[C@@H](CC(=O)OC(C)(C)C)c1nnc(C)n1-2
|
C26H29N5O2S 475.618000 |
PMSPBUOYDPYDPF-FQEVSTJZSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB268
|
Local ready
Direct docking supported
|
|
E3L066608
LIG001178
|
ZZ7-16-072
CC(C)S(=O)(=O)c1ccccc1Nc1nc(N[C@@H]2CCCN(C(=O)c3cccnn3)C2)ncc1Cl
|
C23H26ClN7O3S 516.027000 |
PNIGLVBYVNLLKF-MRXNPFEDSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB168
|
Local ready
Direct docking supported
|
|
E3L066609
LIG001179
|
8d
COc1ccc(Br)cc1S(=O)(=O)Nc1cc2c(C)noc2cc1OCC(=O)NCCCCCNc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
|
C35H35BrN6O10S 811.668000 |
PNSBEBOWPJJLHJ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB644
|
Local ready
Direct docking supported
|
|
E3L066610
LIG001180
|
ML 1-50
C=CS(=O)(=O)N1CCN(C(=O)C[C@@H]2N=C(c3ccc(Cl)cc3)c3c(sc(C)c3C)-n3c(C)nnc32)CC1
|
C25H27ClN6O3S2 559.117000 |
POWFMDMHDJBMQR-FQEVSTJZSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB37
|
Local ready
Direct docking supported
|
|
E3L066611
LIG001181
|
17
CC[C@H](CO)Nc1nc(NCc2ccc(-c3cc(C#N)ccn3)cc2)c2ncn(C(C)C)c2n1
|
C25H28N8O 456.554000 |
PPEGZSVLTFQULM-HXUWFJFHSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB197
|
Local ready
Direct docking supported
|
|
E3L066612
LIG001182
|
cmp11a
NCc1ccc(COC(=O)NC2CC(=O)NC2=O)cc1
|
C13H15N3O4 277.280000 |
PPHDAIUDWPTCMT-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB855
|
Local ready
Direct docking supported
|
|
E3L066613
LIG001183
|
15
O=C1CCC(n2cc(-c3cscc3Br)nn2)C(=O)N1
|
C11H9BrN4O2S 341.190000 |
PPPDVMPXLUOKPR-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1308
|
Local ready
Direct docking supported
|