| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L066982
LIG001552
|
67
O=C1CCC(N2C(=O)c3cccc(NC(=O)c4ccno4)c3C2=O)C(=O)N1
|
C17H12N4O6 368.305000 |
UPVJDZACBNQCGC-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB975
|
Local ready
Direct docking supported
|
|
E3L066983
LIG001553
|
26
CNc1n[nH]c2c(CN3CCCC3)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc12
|
C25H27N7O3 473.537000 |
UQQRGWMKCDTJPQ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1517
|
Local ready
Direct docking supported
|
|
E3L066984
LIG001554
|
5
CC[C@H](CO)Nc1nc(NCc2ccc(-c3ccncc3)cc2)c2ncn(C(C)C)c2n1
|
C24H29N7O 431.544000 |
UQRBOMYWGJFNEB-HXUWFJFHSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB208
|
Local ready
Direct docking supported
|
|
E3L066986
LIG001556
|
14b
O=C1CCC(N2C(=O)c3cccc([C@H]4C[C@@]4(COOCC(Cl)(Cl)Cl)c4ccc(Br)cc4)c3C2=O)C(=O)N1
|
C25H20BrCl3N2O6 630.706000 |
UQSMDHYHGKXXAH-UOZFTJLZSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB968
|
Local ready
Direct docking supported
|
|
E3L066987
LIG001557
|
43
Cc1ccc(NC(=O)NCc2cccc(C(=O)NC3CCC(=O)NC3=O)c2)cc1Cl
|
C21H21ClN4O4 428.876000 |
URCPONFUJISESJ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB342
|
Local ready
Direct docking supported
|
|
E3L066988
LIG001558
|
HB007
N#Cc1ccc2nc(NC(=O)Nc3cccc(Cl)c3)sc2c1
|
C15H9ClN4OS 328.784000 |
URCZUKFRZQNQSQ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1409
|
Local ready
Direct docking supported
|
|
E3L066989
LIG001559
|
Compound 11
CC(C)(C)CC(C)(C)Nc1c(-c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)nc2ccccn12
|
C28H33N5O3 487.604000 |
URPATGFIHKJSDH-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB91
|
Local ready
Direct docking supported
|
|
E3L066990
LIG001560
|
33
COc1ccc(C(C)(C)c2cc(Cl)c(OCC3CCN(C(=O)CCCCNc4ccc5c(c4)C(=O)N(C4CCC(=O)N(C)C4=O)C5=O)CC3)c(C#N)c2)cc1
|
C42H46ClN5O7 768.311000 |
URRVRXAHEDVZND-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1564
|
Local ready
Direct docking supported
|
|
E3L066991
LIG001561
|
L6
CCOC(=O)C1CCCN(C(=O)c2nn(-c3ccc(C)c(C)c3)c(=O)n(Cc3ccccc3)c2=O)C1
|
C27H30N4O5 490.560000 |
URZUOPOVUCKUER-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB491
|
Local ready
Direct docking supported
|
|
E3L066992
LIG001562
|
49
CC(C)(C)OC(=O)N1CCC2(CC1)CCN(c1cc3c(cc1F)C(=O)N(C1CCC(=O)NC1=O)C3=O)CC2
|
C27H33FN4O6 528.581000 |
USUDQUITXYTGGG-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB107
|
Local ready
Direct docking supported
|
|
E3L066993
LIG001563
|
23c
Cc1ccc(NC(=O)NCc2ccc3c(=O)n(C4CCC(=O)NC4=O)nnc3c2)cc1
|
C21H20N6O4 420.429000 |
USWDBQRILPTSCJ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB349
|
Local ready
Direct docking supported
|
|
E3L066994
LIG001564
|
29
COc1ccc(C2CCC(=O)NC2=O)cc1
|
C12H13NO3 219.240000 |
UTEUBBDWRDGRCU-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB676
|
Local ready
Direct docking supported
|
|
E3L066995
LIG001565
|
YKL-06-102
CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(CC(=O)NCCOCCOCCOCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cn3)nc2n(C2CCCC2)c1=O
|
C47H57N11O10 936.040000 |
UTSBHEVQCONLCR-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB43
|
Local ready
Direct docking supported
|
|
E3L066996
LIG001566
|
ZZ7-16-068
CC(C)S(=O)(=O)c1ccccc1Nc1nc(N[C@@H]2CCCN(C(=O)c3ncccn3)C2)ncc1Cl
|
C23H26ClN7O3S 516.027000 |
UTYRDPQQWOBSJZ-MRXNPFEDSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB175
|
Local ready
Direct docking supported
|
|
E3L066997
LIG001567
|
4A
O=C1CCC(N2Cc3cccc(-c4ccccc4)c3C2=O)C(=O)N1
|
C19H16N2O3 320.348000 |
UUIGKJBPOQJSRL-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1256
|
Local ready
Direct docking supported
|
|
E3L066998
LIG001568
|
MV1
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)OC)C(c1ccccc1)c1ccccc1)C1CCCCC1
|
C33H44N4O5 576.738000 |
UUPZYAHONNHULX-CJBSCAABSA-N | P98170, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB, e3_ligand
BindingDB:BDBM50546196; e3_ligand:47
|
Local ready
Direct docking supported
|
|
E3L066999
LIG001569
|
MV1
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)OC)C(c1ccccc1)c1ccccc1)C1CCCCC1
|
C33H44N4O5 576.738000 |
UUPZYAHONNHULX-CJBSCAABSA-N | P98170 | - |
e3_ligand
e3_ligand:47
|
Local ready
Direct docking supported
|
|
E3L067000
LIG001570
|
ALV-02-146-03
O=C1CCC(N2C(=O)C=C(Nc3ccccc3)C2=O)C(=O)N1
|
C15H13N3O4 299.286000 |
UVNZQNDQDYPFFR-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB945
|
Local ready
Direct docking supported
|
|
E3L067001
LIG001571
|
Pomalidomide
Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
|
C13H11N3O4 273.248000 |
UVSMNLNDYGZFPF-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1, Protein cereblon |
BindingDB, e3_ligand, MolGlueDB
BindingDB:BDBM65456; e3_ligand:2; MolGlueDB:MGDB825
|
Local ready
Direct docking supported
|
|
E3L067028
LIG001598
|
LYG-421
O=C1CCC(N2Cc3cc(CNC(=O)C4=Cc5cc(-c6ccccc6)ccc5OC4)ccc3C2=O)C(=O)N1
|
C30H25N3O5 507.546000 |
UVTFVLADLNPEBO-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1364
|
Local ready
Direct docking supported
|