| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L065726
LIG000296
|
ZXH-2-050
O=C1CCC(N2Cc3c(Nc4ccnc(Nc5ccc6c(c5)CCN6)n4)cccc3C2=O)C(=O)N1
|
C25H23N7O3 469.505000 |
DNRXXLVPEWRIEU-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1145
|
Local ready
Direct docking supported
|
|
E3L065727
LIG000297
|
40
O=C1CCN(c2ccc(OCc3ccc(CN4CCOCC4)cc3)cc2)C(=O)N1
|
C22H25N3O4 395.459000 |
DOENTLHKBSYPJG-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB764
|
Local ready
Direct docking supported
|
|
E3L065728
LIG000298
|
3
Cc1ccc(NC(=O)NCc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)cc1Cl
|
C22H21ClN4O4 440.887000 |
DOEVCIHTTTYVCC-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB348
|
Local ready
Direct docking supported
|
|
E3L065738
LIG000308
|
LL-K12-12
CCn1cnc2c(NCc3nc4cc(Cl)c(Cl)cc4[nH]3)nc(N3CCN(C(=O)c4ccccn4)CC3)nc21
|
C25H24Cl2N10O 551.442000 |
DOKAPKZMYDLVOE-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB470
|
Local ready
Direct docking supported
|
|
E3L065739
LIG000309
|
LIG000309
C[C@@H](O)[C@H](N)C(=O)N[C@H]1CC(=O)NC1=O
|
C8H13N3O4 215.209000 |
DOTRNXZZJCEVDD-IWGUZYHVSA-N | Q96SW2 | - |
e3_ligand
e3_ligand:122
|
Local ready
Direct docking supported
|
|
E3L065740
LIG000310
|
22q
O=C1CCC(n2nnc3ccc(CNC(=O)Nc4cccc(-c5ccccc5)c4)cc3c2=O)C(=O)N1
|
C26H22N6O4 482.500000 |
DOVCJYPISITJGR-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1197
|
Local ready
Direct docking supported
|
|
E3L065741
LIG000311
|
CCW 16
COc1ccc(Oc2ccc(N(Cc3ccccc3)C(=O)CCl)cc2)cc1
|
C22H20ClNO3 381.859000 |
DPADEQNOMBTITM-UHFFFAOYSA-N | P78317 | E3 ubiquitin-protein ligase RNF4 |
BindingDB, e3_ligand
BindingDB:BDBM50404381; e3_ligand:61
|
Local ready
Direct docking supported
|
|
E3L065742
LIG000312
|
46
COc1cnc2cc(C(=O)Nc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)ccc2c1
|
C24H20N4O5 444.447000 |
DPCNQUQEWFWFHL-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB745
|
Local ready
Direct docking supported
|
|
E3L065743
LIG000313
|
DS18
CC(C)n1cnc2c(NCc3nc4cc(Cl)c(Cl)cc4[nH]3)nc(N3CCOCC3)nc21
|
C20H22Cl2N8O 461.357000 |
DPCUNIIUTMKIKJ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB161
|
Local ready
Direct docking supported
|
|
E3L065744
LIG000314
|
GSK2250665A
CCc1ccc2nc(Nc3cc(Cc4ccccc4)nc(N[C@H]4CC[C@H](O)CC4)n3)sc2c1
|
C26H29N5OS 459.619000 |
DPRNXTSMYVCYLJ-XUTJKUGGSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1625
|
Local ready
Direct docking supported
|
|
E3L065745
LIG000315
|
JQ1-FcQ
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)NC1=O)c1nnc(C)n1-2
|
C42H49ClN8O5S 813.425000 |
DPTJZVQTTIPIPR-ZDCRTTOTSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1296
|
Local ready
Direct docking supported
|
|
E3L065746
LIG000316
|
22g
COc1ccc(NC(=O)NCc2ccc3nnn(C4CCC(=O)NC4=O)c(=O)c3c2)cc1Cl
|
C21H19ClN6O5 470.873000 |
DQBZLCLGWULMMR-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB617
|
Local ready
Direct docking supported
|
|
E3L065747
LIG000317
|
cmpd 12
COc1cccc(S(=O)(=O)Nc2nccc(Nc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)n2)c1
|
C24H20N6O7S 536.526000 |
DQMAPMLXEPOVPI-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB713
|
Local ready
Direct docking supported
|
|
E3L065748
LIG000318
|
14s
Nc1ccc(SCC2CCC(=O)NC2=O)cc1
|
C12H14N2O2S 250.323000 |
DRRNCOUWDHEAEU-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, MolGlueDB
BindingDB:BDBM50625137; MolGlueDB:MGDB807
|
Local ready
Direct docking supported
|
|
E3L065749
LIG000319
|
Compound 8
Nc1c(-c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)nc2ccccn12
|
C20H17N5O3 375.388000 |
DSESRVIUYQBZFJ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB778
|
Local ready
Direct docking supported
|
|
E3L065750
LIG000320
|
Lib-D-12L
Cc1nc2ccccn2c1/C=N/NC(=O)COc1ccccc1-c1cccc2c1CN(C1CCC(=O)N(C)C1=O)C2=O
|
C31H28N6O5 564.602000 |
DSOWKLVGSISKSC-KPGMTVGESA-N | - | - |
MolGlueDB
MolGlueDB:MGDB232
|
Local ready
Direct docking supported
|
|
E3L065751
LIG000321
|
26
O=C1CCC(N2C(=O)c3cccc(NCC4CC5(CCN(C[C@H]6CC[C@H](n7cc8cc(NC(=O)c9cccc(C(F)(F)F)n9)c(C(F)F)cc8n7)CC6)CC5)C4)c3C2=O)C(=O)N1
|
C44H45F5N8O5 860.885000 |
DSZVFSMDHQLFKQ-ZBTZYFEDSA-N | Q96SW2 | Protein cereblon |
BindingDB, MolGlueDB
BindingDB:BDBM50639850; MolGlueDB:MGDB982
|
Local ready
Direct docking supported
|
|
E3L065752
LIG000322
|
HQ011
Cc1cnc(NC(=O)Cc2csc(N)n2)s1
|
C9H10N4OS2 254.340000 |
DTBCZPRZASRIPY-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB393
|
Local ready
Direct docking supported
|
|
E3L065753
LIG000323
|
51
O=C1CCC(N2Cc3cc(NC(=O)c4cccc(Oc5ccccc5)c4)ccc3C2=O)C(=O)N1
|
C26H21N3O5 455.470000 |
DTGOZYNEQILPSF-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1192
|
Local ready
Direct docking supported
|
|
E3L065754
LIG000324
|
ZXH-1-138
COc1ccccc1Nc1nccc(NCC(=O)Nc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)n1
|
C26H25N7O5 515.530000 |
DTVIIAPUEAVPGV-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, MolGlueDB
BindingDB:BDBM585787; MolGlueDB:MGDB717
|
Local ready
Direct docking supported
|