| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L067029
LIG001599
|
UOM-005476
O=C(Cc1ccc(NC(=O)c2ccncc2)cc1)Nc1ncc(SCc2cccnc2)s1
|
C23H19N5O2S2 461.572000 |
UVUUSOVTSRHTTI-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1494
|
Local ready
Direct docking supported
|
|
E3L067030
LIG001600
|
ALV-07-038-01
CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(CCCCOc5cccc(CN6CCC(c7ccc8c(c7)CN(C7CCC(=O)NC7=O)C8=O)CC6)c5)CC4)cn3)nc2n(C2CCCC2)c1=O
|
C53H62N10O6 935.143000 |
UWMJNFLPBWWKOP-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1528
|
Local ready
Direct docking supported
|
|
E3L067031
LIG001601
|
14m
COc1ccc(CSCC2CCC(=O)NC2=O)cc1
|
C14H17NO3S 279.361000 |
UWYCETXDSZQZSS-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, MolGlueDB
BindingDB:BDBM50625131; MolGlueDB:MGDB680
|
Local ready
Direct docking supported
|
|
E3L067032
LIG001602
|
30
CC(C)(c1ccc(OCc2cncnc2)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 |
UXIJPMLSAQRGCE-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1561
|
Local ready
Direct docking supported
|
|
E3L067033
LIG001603
|
LC-02-119
O=C1CC[C@H](N2Cc3cc(-c4cnn5ccc(NC6CCCCC6)nc45)ccc3C2=O)C(=O)N1
|
C25H26N6O3 458.522000 |
UYDLBNIXPOLYLS-FQEVSTJZSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB920
|
Local ready
Direct docking supported
|
|
E3L067034
LIG001604
|
QXG-6029
O=C1CCC(N2Cc3cc(-c4cc5ccccc5cn4)ccc3C2=O)C(=O)N1
|
C22H17N3O3 371.396000 |
UYLCECOIORPNBC-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1169
|
Local ready
Direct docking supported
|
|
E3L067036
LIG001606
|
24
Cn1nc(C2CCC(=O)NC2=O)c2ccc(N)cc21
|
C13H14N4O2 258.281000 |
UYLCMFFNTCBIBW-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, MolGlueDB
BindingDB:BDBM475139; MolGlueDB:MGDB583
|
Local ready
Direct docking supported
|
|
E3L067037
LIG001607
|
3A
O=C1CCC(N2Cc3ccc(-c4ccccc4)cc3C2=O)C(=O)N1
|
C19H16N2O3 320.348000 |
UZGVEFNBUJANDS-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1240
|
Local ready
Direct docking supported
|
|
E3L067038
LIG001608
|
69
O=C1CCC(N2C(=O)c3cccc(NC(=O)c4cccnc4)c3C2=O)C(=O)N1
|
C19H14N4O5 378.344000 |
UZKKKDIDZKECMB-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB976
|
Local ready
Direct docking supported
|
|
E3L067039
LIG001609
|
BETd-260
CCn1nc(C2CC2)cc1Nc1nc(C(=O)NCCCCCc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)nc2[nH]c3cc(-c4c(C)noc4C)c(OC)cc3c12
|
C43H46N10O6 798.905000 |
UZXANFBIRSYHGO-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB484
|
Local ready
Direct docking supported
|
|
E3L067040
LIG001610
|
Piperlongumine
COc1cc(/C=C/C(=O)N2CCC=CC2=O)cc(OC)c1OC
|
C17H19NO5 317.341000 |
VABYUUZNAVQNPG-BQYQJAHWSA-N | Q14145 | - |
e3_ligand
e3_ligand:93
|
Local ready
Direct docking supported
|
|
E3L067041
LIG001611
|
FL4
O=C1CCC(N2C(=O)c3cccc(Nc4ccc(OS(=O)(=O)F)cc4)c3C2=O)C(=O)N1
|
C19H14FN3O7S 447.400000 |
VAPSRWQVLDMNPO-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1032
|
Local ready
Direct docking supported
|
|
E3L067042
LIG001612
|
C5
CCOC(=O)C1CCCN(C(=O)c2nn(-c3ccc(C)c(C)c3)c(=O)n(Cc3cccc(C(F)(F)F)c3)c2=O)C1
|
C28H29F3N4O5 558.557000 |
VBFRDSALBVVCTO-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1435
|
Local ready
Direct docking supported
|
|
E3L067043
LIG001613
|
LC-04-042
O=C1CC[C@H](N2Cc3cc(-c4cnc5n4CCN(Cc4ccccc4-c4ccncc4)C5)ccc3C2=O)C(=O)N1
|
C31H28N6O3 532.604000 |
VBKRTIAVDNIPSQ-SANMLTNESA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1267
|
Local ready
Direct docking supported
|
|
E3L067044
LIG001614
|
34d
CC(NC(=O)Nc1cccc(C(C)(C)C)c1)c1ccc2nnn(C3CCC(=O)NC3=O)c(=O)c2c1
|
C25H28N6O4 476.537000 |
VBVAZSILFWUVLI-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB183
|
Local ready
Direct docking supported
|
|
E3L067045
LIG001615
|
9f
Cc1ccc(NC(=O)OCc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)cc1Cl
|
C22H20ClN3O5 441.871000 |
VCEJNBKFGYUOAV-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, MolGlueDB
BindingDB:BDBM653912; MolGlueDB:MGDB357
|
Local ready
Direct docking supported
|
|
E3L067046
LIG001616
|
ML 1-45
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)N1CCN(Cc3ccc(S(=O)(=O)F)cc3)CC1)c1nnc(C)n1-2
|
C30H30ClFN6O3S2 641.194000 |
VCODGJPJEJMVDC-VWLOTQADSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB252
|
Local ready
Direct docking supported
|
|
E3L067047
LIG001617
|
14
CC(C)c1n[nH]c2c(NCc3ccc(-n4cccn4)cc3)nc(SCC(O)CN)nc12
|
C21H26N8OS 438.561000 |
VCPPIWOVNDKKKF-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB144
|
Local ready
Direct docking supported
|
|
E3L067048
LIG001618
|
16
O=C1CCC(N2Cc3cc(NCc4ccc5ccncc5c4)ccc3C2=O)C(=O)N1
|
C23H20N4O3 400.438000 |
VCYLWQIKFZDQNX-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1230
|
Local ready
Direct docking supported
|
|
E3L067049
LIG001619
|
LC-04-041
O=C1CC[C@H](N2Cc3cc(-c4cnc5n4CCN(Cc4ccccc4-c4ccc(F)cc4)C5)ccc3C2=O)C(=O)N1
|
C32H28FN5O3 549.606000 |
VDRBYTCCIRUVHX-MHZLTWQESA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1266
|
Local ready
Direct docking supported
|