| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L067300
LIG001870
|
Lib-B-1B
O=C(COc1ccccc1-c1cccc2c1CN(C1CCC(=O)NC1=O)C2=O)N/N=C/c1c(-c2ccccc2)nc2n1CCS2
|
C33H28N6O5S 620.691000 |
YFGHWNQYMTUYHF-KVAAJVFYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB867
|
Local ready
Direct docking supported
|
|
E3L067301
LIG001871
|
LC-04-043
O=C1CC[C@H](N2Cc3cc(-c4cnc5n4CCN(Cc4ccccc4-c4cccc(Cl)c4)C5)ccc3C2=O)C(=O)N1
|
C32H28ClN5O3 566.061000 |
YFKFZPCPTVQGLX-MHZLTWQESA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1268
|
Local ready
Direct docking supported
|
|
E3L067302
LIG001872
|
JP-2-201
CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C(=O)/C=C/C(=O)c5ccc(OC)cc5)CC4)ccc3OCC)nc12
|
C32H36N6O7S 648.742000 |
YGANIZBPLNWCOJ-FYWRMAATSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB439
|
Local ready
Direct docking supported
|
|
E3L067303
LIG001873
|
LC-02-116
O=C1CC[C@H](N2Cc3cc(-c4cnn5ccc(NCc6ccccc6)nc45)ccc3C2=O)C(=O)N1
|
C26H22N6O3 466.501000 |
YGLDMGSRTJAXRL-NRFANRHFSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB922
|
Local ready
Direct docking supported
|
|
E3L067304
LIG001874
|
18
CC(C)(c1ccc(OCCCCl)cc1)c1ccc(OCC2CCN(C(=O)CCCCNc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)cc1
|
C42H49ClN4O7 757.328000 |
YGOVZZHCKHVSOP-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1549
|
Local ready
Direct docking supported
|
|
E3L067305
LIG001875
|
14r
Nc1cccc(SCC2CCC(=O)NC2=O)c1
|
C12H14N2O2S 250.323000 |
YGPLIXYOXPSSRZ-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, MolGlueDB
BindingDB:BDBM50625136; MolGlueDB:MGDB796
|
Local ready
Direct docking supported
|
|
E3L067306
LIG001876
|
LL-K12-5
CC(=O)N1CCN(c2nc(NCc3nc4cc(Cl)c(Cl)cc4[nH]3)c3ncn(C(C)C)c3n2)CC1
|
C22H25Cl2N9O 502.410000 |
YHAKJTLQZMUPCS-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB65
|
Local ready
Direct docking supported
|
|
E3L067307
LIG001877
|
ZZ7-14-046
CC(=O)N1CCC[C@@H](Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)C1
|
C20H26ClN5O3S 451.980000 |
YHLDASHGDXSEDW-OAHLLOKOSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB61
|
Local ready
Direct docking supported
|
|
E3L067308
LIG001878
|
LIG001878
O=C1CCC(N2Cc3c(Cl)cccc3C2=O)C(=O)N1
|
C13H11ClN2O3 278.695000 |
YIARPOLJSNXULV-UHFFFAOYSA-N | Q96SW2 | - |
e3_ligand
e3_ligand:168
|
Local ready
Direct docking supported
|
|
E3L067309
LIG001879
|
T08
O=C(CNc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCOCCOCCOCc1ccccc1
|
C28H32N4O8 552.584000 |
YIDFFIQKGGBBRV-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB863
|
Local ready
Direct docking supported
|
|
E3L067310
LIG001880
|
TMX-4113
CSc1cscc1-c1cn(C2CCC(=O)NC2=O)nn1
|
C12H12N4O2S2 308.388000 |
YIIUEHDPOPLUBR-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB757
|
Local ready
Direct docking supported
|
|
E3L067311
LIG001881
|
(5)-MS4078
Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(CC(=O)NCCNc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1
|
C45H52ClN9O8S 914.486000 |
YITSBIJCNYEPBO-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB310
|
Local ready
Direct docking supported
|
|
E3L067312
LIG001882
|
LIG001882
CC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)c1ccccc1
|
C24H38N4O3 430.593000 |
YIULOCFICSPXDR-OJAHFUOMSA-N | - | - |
e3_ligand
e3_ligand:69
|
Local ready
Direct docking supported
|
|
E3L067313
LIG001883
|
QXG-133-2
O=C1CCC(N2Cc3cc(NC(=O)c4cc5ccccn5c4)ccc3C2=O)C(=O)N1
|
C22H18N4O4 402.410000 |
YIUQFXABLLXKGK-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1068
|
Local ready
Direct docking supported
|
|
E3L067315
LIG001885
|
ML 1-29
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)N1CCN(C(=O)c3ccc(C=O)c(O)c3)CC1)c1nnc(C)n1-2
|
C31H29ClN6O4S 617.131000 |
YJDZOMPJSXXLBY-DEOSSOPVSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB247
|
Local ready
Direct docking supported
|
|
E3L067316
LIG001886
|
10a
CC(=O)N[C@@H]1C[C@H](C)CN(c2ncc(Cl)c(Nc3ccc4c(c3)c3c(c(=O)n4C)OCC(F)(F)[C@@H](C4CC4)N3)n2)C1
|
C28H32ClF2N7O3 588.059000 |
YJEGTRPXGMXUTO-NDGOPHNLSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB54
Related BindingDB:BDBM50606280; Related BindingDB:BDBM50606287
|
Local ready
Direct docking supported
|
|
E3L067317
LIG001887
|
ZXH-1-123
COc1cccc(-c2nccc(NCC(=O)Nc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)n2)c1
|
C26H24N6O5 500.515000 |
YJRPNRQDNBVRFI-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, MolGlueDB
BindingDB:BDBM585781; MolGlueDB:MGDB709
|
Local ready
Direct docking supported
|
|
E3L067318
LIG001888
|
29
COc1cccc2ccc(CNc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)cc12
|
C25H23N3O4 429.476000 |
YKFCLPVZTGRYIM-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB628
|
Local ready
Direct docking supported
|
|
E3L067319
LIG001889
|
ALV2
Cc1ccc(NC(=O)NC(C)(C)c2cccc(NC3=CC(=O)N(C4CCC(=O)NC4=O)C3=O)c2)cc1Cl
|
C26H26ClN5O5 523.977000 |
YKFHBIMJVFQOQL-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB341
|
Local ready
Direct docking supported
|
|
E3L067320
LIG001890
|
28
COc1ccc2ccc(CNc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)cc2c1
|
C25H23N3O4 429.476000 |
YKIYHEYSHLGTGN-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB705
|
Local ready
Direct docking supported
|