| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L067218
LIG001788
|
GDC-0152
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1)C1CCCCC1
|
C25H34N6O3S 498.653000 |
WZRFLSDVFPIXOV-LRQRDZAKSA-N | P98170 | - |
e3_ligand
e3_ligand:56
|
Local ready
Direct docking supported
|
|
E3L067219
LIG001789
|
compound 19
O=C1CCC(n2cc(-c3csc(C(=O)N4CCC4)c3)nn2)C(=O)N1
|
C15H15N5O3S 345.384000 |
WZWVMKIYDSSXTJ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1046
|
Local ready
Direct docking supported
|
|
E3L067220
LIG001790
|
31
Cn1nc(N2CCC(=O)NC2=O)c2cccc(N)c21
|
C12H13N5O2 259.269000 |
XAGXGPHFKRSBII-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB592
|
Local ready
Direct docking supported
|
|
E3L067221
LIG001791
|
LC-04-040
Cc1ccc(-c2ccccc2CN2CCn3c(-c4ccc5c(c4)CN([C@H]4CCC(=O)NC4=O)C5=O)cnc3C2)cc1
|
C33H31N5O3 545.643000 |
XBBPLZLXMADKGS-NDEPHWFRSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1265
|
Local ready
Direct docking supported
|
|
E3L067222
LIG001792
|
42
O=C(NCc1ccc(-c2ccco2)cc1)c1n[nH]cc1NC(=O)c1c(Cl)cccc1Cl
|
C22H16Cl2N4O3 455.301000 |
XCHRUOHZFSTQDC-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB882
|
Local ready
Direct docking supported
|
|
E3L067223
LIG001793
|
EM12-SO2Pyr(4-F)
O=C1CCC(N2Cc3ccc(S(=O)(=O)n4cc(F)cn4)cc3C2=O)C(=O)N1
|
C16H13FN4O5S 392.368000 |
XCNHBGNPGFMWGO-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, MolGlueDB
BindingDB:BDBM50630777; MolGlueDB:MGDB1247
|
Local ready
Direct docking supported
|
|
E3L067224
LIG001794
|
9e
COc1ccc(-c2ccc3[nH]c(=O)c4nnn(-c5ccc(N6CCN(C(=O)/C=C/C(=O)c7ccccc7)CC6)c(C(F)(F)F)c5)c4c3c2)cn1
|
C36H28F3N7O4 679.659000 |
XCSUYJGQAVWCEX-WYMLVPIESA-N | - | - |
MolGlueDB
MolGlueDB:MGDB748
|
Local ready
Direct docking supported
|
|
E3L067225
LIG001795
|
L9
Cc1ccc(-n2nc(C(=O)N3CCCC(C(N)=O)C3)c(=O)n(Cc3ccccc3)c2=O)cc1C
|
C25H27N5O4 461.522000 |
XEGAYACAUDPKBF-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB328
|
Local ready
Direct docking supported
|
|
E3L067226
LIG001796
|
TD-428
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@H](CC(=O)Nc1cccc(OCCOCCOCCNc3cccc4nnn(C5CCC(=O)NC5=O)c(=O)c34)c1)c1nnc(C)n1-2
|
C43H43ClN10O7S 879.400000 |
XEZUBGASURUNMF-BONSOQDYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB244
|
Local ready
Direct docking supported
|
|
E3L067227
LIG001797
|
Boc-AcQ
C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCC(=O)NC1=O
|
C13H21N3O5 299.327000 |
XFMVRERIAUFQPH-YUMQZZPRSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB23
|
Local ready
Direct docking supported
|
|
E3L067228
LIG001798
|
LIG001798
CCC(C)c1cc2c(n(-c3ccc(=O)n(CC(=O)O)c3)c1=O)CN(C(=O)OCCOC)CC2
|
C23H29N3O7 459.499000 |
XFTKAVIYFGOXSI-UHFFFAOYSA-N | Q9Y2U9 | - |
e3_ligand
e3_ligand:107
|
Local ready
Direct docking supported
|
|
E3L067229
LIG001799
|
Compound 5
CC(C)(C)Nc1c(-c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)nc2ccccn12
|
C24H25N5O3 431.496000 |
XFVBKCZNPSKTMC-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB100
|
Local ready
Direct docking supported
|
|
E3L067230
LIG001800
|
LIG001800
N[C@@H](CCC(=O)O)C(=O)N[C@H]1CC(=O)NC1=O
|
C9H13N3O5 243.219000 |
XGYAYCLFCYTQIV-WHFBIAKZSA-N | Q96SW2 | - |
e3_ligand
e3_ligand:115
|
Local ready
Direct docking supported
|
|
E3L067231
LIG001801
|
9
CC(C)Oc1cscc1-c1cn(C2CCC(=O)NC2=O)nn1
|
C14H16N4O3S 320.374000 |
XHDCLSOMGHYDTH-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1302
|
Local ready
Direct docking supported
|
|
E3L067232
LIG001802
|
14
Cc1ccc(C(=O)Nc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)cc1
|
C21H19N3O4 377.400000 |
XHFMAWKVKSEQSG-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB319
|
Local ready
Direct docking supported
|
|
E3L067233
LIG001803
|
34
C=Cc1ccc(CNc2nc(N[C@H](CC)CO)nc3c2ncn3C(C)C)cc1
|
C21H28N6O 380.496000 |
XHIUJEMDGFAHEL-QGZVFWFLSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB36
|
Local ready
Direct docking supported
|
|
E3L067234
LIG001804
|
HQ006
COc1cccc(Nc2nc(CC(=O)Nc3ncc(C)s3)cs2)n1
|
C15H15N5O2S2 361.452000 |
XHNSBGHKGAKQLE-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB712
|
Local ready
Direct docking supported
|
|
E3L067235
LIG001805
|
LIG001805
CC(C)n1c(=O)n(C2CCC(=O)NC2=O)c2ccccc21
|
C15H17N3O3 287.319000 |
XICCGTAWOSBWTB-UHFFFAOYSA-N | Q96SW2 | - |
e3_ligand
e3_ligand:163
|
Local ready
Direct docking supported
|
|
E3L067236
LIG001806
|
AT-IAP
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCOC[C@H]2C)CN1
|
C29H40FN5O2 509.670000 |
XIQKDUKFFKQZAO-DNRQZRRGSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB, e3_ligand
BindingDB:BDBM50239425; e3_ligand:73
Related BindingDB:BDBM156189
|
Local ready
Direct docking supported
|
|
E3L067237
LIG001807
|
AT-IAP
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCOC[C@H]2C)CN1
|
C29H40FN5O2 509.670000 |
XIQKDUKFFKQZAO-DNRQZRRGSA-N | Q13490 | - |
e3_ligand
e3_ligand:73
|
Local ready
Direct docking supported
|