| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L066485
LIG001055
|
56
O=C1CCC(N2Cc3cc(NC(=O)c4ccc5c(c4)CCCC5)ccc3C2=O)C(=O)N1
|
C24H23N3O4 417.465000 |
NYWWYHLFJSMTAB-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1198
|
Local ready
Direct docking supported
|
|
E3L066486
LIG001056
|
LIG001056
O=C1CCC(n2c(=O)c3ccccc3[s+]2[O-])C(=O)N1
|
C12H10N2O4S 278.289000 |
NZBYTUFUSUTSCG-UHFFFAOYSA-N | Q96SW2 | - |
e3_ligand
e3_ligand:142
|
Local ready
Direct docking supported
|
|
E3L066487
LIG001057
|
14
COC(=O)c1ccc2c(c1)[nH]c1nc(Cc3ccccc3)nc(NCCCN3CCCCC3)c12
|
C27H31N5O2 457.578000 |
NZXSJTNWADUPSE-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1422
|
Local ready
Direct docking supported
|
|
E3L066488
LIG001058
|
dRRM-1
Cc1ccc(S(=O)(=O)Nc2ccc3ncccc3c2)cc1
|
C16H14N2O2S 298.367000 |
OAKHDXJUOUHIBP-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB365
|
Local ready
Direct docking supported
|
|
E3L066489
LIG001059
|
L8
CCOC(=O)C1CCN(C(=O)c2nn(-c3ccc(C)c(C)c3)c(=O)n(Cc3ccccc3)c2=O)CC1
|
C27H30N4O5 490.560000 |
OAQLBNOBBBPTLU-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB495
|
Local ready
Direct docking supported
|
|
E3L066490
LIG001060
|
EM12-SO2Pyr(4-CF3)
O=C1CCC(N2Cc3ccc(S(=O)(=O)n4cc(C(F)(F)F)cn4)cc3C2=O)C(=O)N1
|
C17H13F3N4O5S 442.375000 |
OAYGGDVUNUDPEI-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, MolGlueDB
BindingDB:BDBM50630779; MolGlueDB:MGDB1246
|
Local ready
Direct docking supported
|
|
E3L066491
LIG001061
|
LYG-104
O=C1CCC(N2Cc3cc(CNC(=O)/C(Cc4ccc([N+](=O)[O-])cc4)=N/O)ccc3C2=O)C(=O)N1
|
C23H21N5O7 479.449000 |
OAYKTBSOXGVXDU-NLRVBDNBSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1323
|
Local ready
Direct docking supported
|
|
E3L066492
LIG001062
|
L03
O=C1CCC(N2Cc3c(NC(=O)COCCOCCOCc4ccccc4)cccc3C2=O)C(=O)N1
|
C26H29N3O7 495.532000 |
OBGWKXQARMGLTQ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1096
|
Local ready
Direct docking supported
|
|
E3L066493
LIG001063
|
PRLX 96936
CCOc1ccccc1-n1c(CN2CCNCC2)nc2ccccc2c1=O
|
C21H24N4O2 364.449000 |
OBWOSMGNXYUDFB-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1444
|
Local ready
Direct docking supported
|
|
E3L066494
LIG001064
|
(R)-dHTC1
O=C1C[C@@]2(CCN(S(=O)(=O)NC3CCN(CCNC(=O)c4cccc(-c5cn6cc(C(=O)NC7CCC7)ccc6n5)c4)CC3)C2)C(=O)N1
|
C33H40N8O6S 676.800000 |
OCUSWIZQDIUKKB-MGBGTMOVSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1399
|
Local ready
Direct docking supported
|
|
E3L066495
LIG001065
|
rac-dHTC1
O=C1CC2(CCN(S(=O)(=O)NC3CCN(CCNC(=O)c4cccc(-c5cn6cc(C(=O)NC7CCC7)ccc6n5)c4)CC3)C2)C(=O)N1
|
C33H40N8O6S 676.800000 |
OCUSWIZQDIUKKB-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1397
|
Local ready
Direct docking supported
|
|
E3L066496
LIG001066
|
(S)-dHTC1
O=C1C[C@]2(CCN(S(=O)(=O)NC3CCN(CCNC(=O)c4cccc(-c5cn6cc(C(=O)NC7CCC7)ccc6n5)c4)CC3)C2)C(=O)N1
|
C33H40N8O6S 676.800000 |
OCUSWIZQDIUKKB-XIFFEERXSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1398
|
Local ready
Direct docking supported
|
|
E3L066497
LIG001067
|
11a
Nc1ccc(C(=O)NC2CCC(=O)NC2=O)c(Cl)c1
|
C12H12ClN3O3 281.699000 |
ODBDBMXVJIBLEY-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, MolGlueDB
BindingDB:BDBM50630596; MolGlueDB:MGDB798
|
Local ready
Direct docking supported
|
|
E3L066498
LIG001068
|
33
COc1cc(CNc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)c(OC)c2ccccc12
|
C26H25N3O5 459.502000 |
OEFXJAQNDSQUOK-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB635
|
Local ready
Direct docking supported
|
|
E3L066499
LIG001069
|
14e
O=C1CCC(CSc2ccc(Br)cc2)C(=O)N1
|
C12H12BrNO2S 314.204000 |
OEVFVTRIZJFTEW-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, MolGlueDB
BindingDB:BDBM50625123; MolGlueDB:MGDB935
|
Local ready
Direct docking supported
|
|
E3L066500
LIG001070
|
Entry 6
Cc1[nH]c2c(C(N)=O)ccc(N3CCC[C@H](NC(=O)CCCCCCc4cccc5c4CC(C4CCC(=O)NC4=O)C5=O)C3)c2c1C
|
C37H45N5O5 639.797000 |
OFBBGRRFJKMWNN-VSRGENKSSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB242
|
Local ready
Direct docking supported
|
|
E3L066501
LIG001071
|
AN5584
Cc1ccc2nc(C)c(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)cc2c1
|
C19H16N4O3 348.362000 |
OFBSFFNWJQIYTL-RGVLZGJSSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB369
|
Local ready
Direct docking supported
|
|
E3L066502
LIG001072
|
1 (ZQ-107)
CC(C)(c1ccc(OCC2CCN(C(=O)CCCCNc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)cc1)c1ccc(OC[C@H](O)CCl)cc1
|
C42H49ClN4O8 773.327000 |
OFCMJDKBGCNQPI-RACIXVTASA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1532
|
Local ready
Direct docking supported
|
|
E3L066503
LIG001073
|
28
COc1cccc(C2CCC(=O)NC2=O)c1
|
C12H13NO3 219.240000 |
OFWOWWYYKQJQHS-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB710
|
Local ready
Direct docking supported
|
|
E3L066504
LIG001074
|
20
COc1ccc(C(C)(C)c2cc(Cl)c(OCC3CCN(C(=O)CCCCNc4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)c(Cl)c2)cc1
|
C40H44Cl2N4O7 763.719000 |
OGBZEKDWCPIWJX-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1551
|
Local ready
Direct docking supported
|