| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L066864
LIG001434
|
25
Cc1ccc(NC(=O)N(C)Cc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)cc1Cl
|
C23H23ClN4O4 454.914000 |
SSXZAZKSDBPHKQ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB340
|
Local ready
Direct docking supported
|
|
E3L066865
LIG001435
|
22l
O=C1CCC(n2nnc3ccc(CNC(=O)Nc4c(Cl)cccc4Cl)cc3c2=O)C(=O)N1
|
C20H16Cl2N6O4 475.292000 |
STLWBSWSIGUORX-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB546
|
Local ready
Direct docking supported
|
|
E3L066866
LIG001436
|
41
O=C1CCC(n2cnc3ccc(OCc4ccc(CN5CCOCC5)cc4)cc32)C(=O)N1
|
C24H26N4O4 434.496000 |
STPAWIJDTOCXOB-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1052
|
Local ready
Direct docking supported
|
|
E3L066867
LIG001437
|
24a
O=C1CCC(N2Cc3cccc(C4=C[C@]4(C(=O)OCC(Cl)(Cl)Cl)c4ccc(Br)cc4)c3C2=O)C(=O)N1
|
C25H18BrCl3N2O5 612.691000 |
STQBVRVNAOULKH-LUTIACGYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1120
|
Local ready
Direct docking supported
|
|
E3L066868
LIG001438
|
cmp18
O=C1CCC(N2Cc3c(OCc4ccc(CN5CCN(c6ccc(Cl)cc6Cl)CC5)cc4)cccc3C2=O)C(=O)N1
|
C31H30Cl2N4O4 593.511000 |
STZSVXBXORXTKZ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1105
|
Local ready
Direct docking supported
|
|
E3L066869
LIG001439
|
10
CCNC(=O)COc1cccc(N2CCC(=O)NC2=O)c1C
|
C15H19N3O4 305.334000 |
SUHBUJWVUUHZCQ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB486
|
Local ready
Direct docking supported
|
|
E3L066870
LIG001440
|
UOM-005197
O=C(Cc1ccc(F)cc1)Nc1ncc(SCc2cccnc2)s1
|
C17H14FN3OS2 359.451000 |
SUODKFKGBZUSNL-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1493
|
Local ready
Direct docking supported
|
|
E3L066871
LIG001441
|
8
CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(-c2ccn[nH]2)c2ccccc12)C(C)(C)C
|
C27H33N5O4 491.592000 |
SURFMMPUSCEGRF-PUZWTLIVSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB59
|
Local ready
Direct docking supported
|
|
E3L066872
LIG001442
|
1B
O=C1CCC(N2Cc3c(cccc3-c3cccnc3)C2=O)C(=O)N1
|
C18H15N3O3 321.336000 |
SVAIDIGSGWMGNC-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1090
|
Local ready
Direct docking supported
|
|
E3L066873
LIG001443
|
7a
Cc1sc2c(c1C)C(c1ccc(C#CCO)cc1)=N[C@@H](CC(=O)OC(C)(C)C)c1nnc(C)n1-2
|
C26H28N4O3S 476.602000 |
SVDRARONQMNMOU-FQEVSTJZSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB269
|
Local ready
Direct docking supported
|
|
E3L066875
LIG001445
|
3B
Cc1ccccc1N1CCC(=O)NC1=O
|
C11H12N2O2 204.229000 |
SVNZIAGWQZKSII-UHFFFAOYSA-N | Q96SW2 | - |
e3_ligand, MolGlueDB
e3_ligand:157; MolGlueDB:MGDB382
|
Local ready
Direct docking supported
|
|
E3L066876
LIG001446
|
iDeg-6
C#Cc1ccc(NC(=O)OC[C@]23CN(S(=O)(=O)c4ccc(C(C)(C)C)cc4C)C[C@H]2C[C@H]2C[C@@H]3C2(C)C)cc1
|
C32H40N2O4S 548.749000 |
SVVLXZSOWBLJBW-YUGNUMPCSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB3
|
Local ready
Direct docking supported
|
|
E3L066877
LIG001447
|
ZXH-2-164
CC(C)n1cnc2c1NC(Nc1ccc3c(c1)CCC3)N=C2Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O
|
C30H32N8O3 552.639000 |
SVVZKBGREJFJCE-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB162
|
Local ready
Direct docking supported
|
|
E3L066878
LIG001448
|
9
CNC(=O)COc1cc2cc(Nc3nc(N4CCC(CN5CCOCC5)CC4)ncc3Cl)ccc2n(C)c1=O
|
C27H34ClN7O4 556.067000 |
SVWPKEHUMUPYAZ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1293
|
Local ready
Direct docking supported
|
|
E3L066879
LIG001449
|
DS01
CC[C@H](CO)Nc1nc(NCCCCCN(C)CC)c2ncn(C(C)C)c2n1
|
C20H37N7O 391.564000 |
SWAVOZGRWXNWON-MRXNPFEDSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1586
|
Local ready
Direct docking supported
|
|
E3L066880
LIG001450
|
35
O=C1CCC(N2C(=O)c3ccc(NC4CCCCC4)cc3C2=O)C(=O)N1
|
C19H21N3O4 355.394000 |
SXAAQKYUBIMDRM-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1012
|
Local ready
Direct docking supported
|
|
E3L066881
LIG001451
|
LIG001451
COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C22H34N2O6 422.522000 |
SZJVXKMSSVDDAU-SQNIBIBYSA-N | Q13490 | - |
e3_ligand
e3_ligand:92
|
Local ready
Direct docking supported
|
|
E3L066882
LIG001452
|
GBD-3
Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2[C@H]1CCCN(C(=O)CCCCCNc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)C1
|
C41H41N9O6 755.836000 |
SZOPXVNCUOXUMD-BSXJZHEVSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB842
|
Local ready
Direct docking supported
|
|
E3L066883
LIG001453
|
CCT368682
C[C@@H]1C[C@H](C)CN(c2ncc(Cl)c(Nc3ccc4c(c3)n(CCC(C)(C)O)c(=O)n4C)n2)C1
|
C24H33ClN6O2 473.021000 |
SZOQWJDRAIBTQM-IYBDPMFKSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, MolGlueDB
BindingDB:BDBM50511642; MolGlueDB:MGDB12
|
Local ready
Direct docking supported
|
|
E3L066884
LIG001454
|
3
Cn1c(=O)n(CCC(C)(C)O)c2cc(Nc3nc(N4CCC(F)(F)C(O)C4)ncc3Cl)ccc21
|
C22H27ClF2N6O3 496.946000 |
TUBBGJWQRZERCH-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, MolGlueDB
BindingDB:BDBM50606286; MolGlueDB:MGDB547
|
Local ready
Direct docking supported
|