| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L066819
LIG001389
|
9l
COc1ccc(-c2ccc3[nH]c(=O)c4nnn(-c5ccc(N6CCN(C(=O)/C=C/C(=O)c7ccc(OC(F)F)cc7)CC6)c(C(F)(F)F)c5)c4c3c2)cn1
|
C37H28F5N7O5 745.665000 |
SEUROMNEMSRRSS-ACCUITESSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB674
|
Local ready
Direct docking supported
|
|
E3L066820
LIG001390
|
ALV-06-149-02
CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(CCOCCOc5cccc(CN6CCC(c7ccc8c(c7)CN(C7CCC(=O)NC7=O)C8=O)CC6)c5)CC4)cn3)nc2n(C2CCCC2)c1=O
|
C53H62N10O7 951.142000 |
SEXHWGRJRIARCK-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1524
|
Local ready
Direct docking supported
|
|
E3L066821
LIG001391
|
Lib-A-6J
O=C(COc1ccc(-c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)cc1)N/N=C/c1c(C(F)(F)F)ccc(Cl)c1Cl
|
C29H21Cl2F3N4O5 633.410000 |
SFKMPPVUXNXVQT-RHQFVSDJSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB864
|
Local ready
Direct docking supported
|
|
E3L066822
LIG001392
|
DS40
CC[C@H](CO)Nc1nc(NCCOCc2ccccc2)c2ncn(C(C)C)c2n1
|
C21H30N6O2 398.511000 |
SFVOIIZSWRCWQJ-QGZVFWFLSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1620
|
Local ready
Direct docking supported
|
|
E3L066823
LIG001393
|
20
CC[C@H](CO)Nc1nc(NCc2ccc(-c3ncccc3O)cc2)c2ncn(C(C)C)c2n1
|
C24H29N7O2 447.543000 |
SFZGHPGTLXTDTA-GOSISDBHSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB195
|
Local ready
Direct docking supported
|
|
E3L066824
LIG001394
|
81
COC(=O)C12C3C4C1C1C2C3C41C(=O)Nc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
|
C24H19N3O7 461.430000 |
SGTTVTPORCPSDX-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB609
|
Local ready
Direct docking supported
|
|
E3L066825
LIG001395
|
NE-012
Nc1cc(Br)cc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
|
C13H10BrN3O4 352.144000 |
SHUCEHSJKBFZEO-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB788
|
Local ready
Direct docking supported
|
|
E3L066826
LIG001396
|
3
CC(C)c1n[nH]c2c(NCc3ccc(-n4cccn4)cc3)nc(S(C)(=O)=O)nc12
|
C19H21N7O2S 411.491000 |
SHUVGHWEFNNJBT-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB140
|
Local ready
Direct docking supported
|
|
E3L066827
LIG001397
|
14h
COC(=O)c1ccccc1SCC1CCC(=O)NC1=O
|
C14H15NO4S 293.344000 |
SIOFICOBFVEIDG-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, MolGlueDB
BindingDB:BDBM50625126; MolGlueDB:MGDB607
|
Local ready
Direct docking supported
|
|
E3L066828
LIG001398
|
PVTX-405(16a)
Cn1cc(-c2cccc(CN3CCC4(CC3)COc3c4ccc4c3CN([C@@H]3CCC(=O)NC3=O)C4=O)c2)cn1
|
C30H31N5O4 525.609000 |
SITNTOVOBBQZJQ-RUZDIDTESA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1468
Related BindingDB:BDBM756530; Related BindingDB:BDBM756523; Related BindingDB:BDBM756531; Related BindingDB:BDBM756529
|
Local ready
Direct docking supported
|
|
E3L066829
LIG001399
|
16
Cn1cc(-c2cccc(CN3CCC4(CC3)COc3c4ccc4c3CN(C3CCC(=O)NC3=O)C4=O)c2)cn1
|
C30H31N5O4 525.609000 |
SITNTOVOBBQZJQ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1467
|
Local ready
Direct docking supported
|
|
E3L066830
LIG001400
|
16b
Cn1cc(-c2cccc(CN3CCC4(CC3)COc3c4ccc4c3CN([C@H]3CCC(=O)NC3=O)C4=O)c2)cn1
|
C30H31N5O4 525.609000 |
SITNTOVOBBQZJQ-VWLOTQADSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1469
|
Local ready
Direct docking supported
|
|
E3L066831
LIG001401
|
LYG-419
O=C1CCC(N2Cc3cc(CNC(=O)C4=Cc5cc(F)c(F)cc5OC4)ccc3C2=O)C(=O)N1
|
C24H19F2N3O5 467.428000 |
SIUIFCAGGADHCH-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1362
|
Local ready
Direct docking supported
|
|
E3L066832
LIG001402
|
11
CN(CCCN(C)c1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)CC1CCC(n2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(C(C)(C)O)cc3n2)CC1
|
C42H47F3N8O6 816.882000 |
SIVKMVMSQFNJAG-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB520
Related BindingDB:BDBM50639837
|
Local ready
Direct docking supported
|
|
E3L066833
LIG001403
|
cmp26
O=C1CCC(N2Cc3c(OCc4ccc(CN5CCC(F)(F)CC5)cc4)cccc3C2=O)C(=O)N1
|
C26H27F2N3O4 483.515000 |
SJEKUWBPPUMDIN-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1104
|
Local ready
Direct docking supported
|
|
E3L066834
LIG001404
|
TMX-1
Cc1sc2c(c1C)C(c1ccc(/C=C/C=O)cc1)=N[C@@H](CC(=O)OC(C)(C)C)c1nnc(C)n1-2
|
C26H28N4O3S 476.602000 |
SJISOGWQGIVAGX-DUIUGDAFSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB266
|
Local ready
Direct docking supported
|
|
E3L066836
LIG001406
|
ZXH-2-005
COc1ccccc1Nc1nccc(Nc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)n1
|
C24H22N6O4 458.478000 |
SJYAFNCIEBHKDP-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB716
|
Local ready
Direct docking supported
|
|
E3L066837
LIG001407
|
FPFT-2216
COc1cscc1-c1cn(C2CCC(=O)NC2=O)nn1
|
C12H12N4O3S 292.320000 |
SKUSCUALKIOIST-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB747
|
Local ready
Direct docking supported
|
|
E3L066842
LIG001412
|
11
O=C1CCC(N2Cc3c(ccc4c3OCC43CCN(Cc4ccccc4)CC3O)C2=O)C(=O)N1
|
C26H27N3O5 461.518000 |
SKXWODBULYQGBD-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, MolGlueDB
BindingDB:BDBM756539; MolGlueDB:MGDB1462
|
Local ready
Direct docking supported
|
|
E3L066843
LIG001413
|
C8
CCOC(=O)C1CCCN(C(=O)c2nn(-c3ccc(C)c(C)c3)c(=O)n(Cc3cccc(C(C)C)c3)c2=O)C1
|
C30H36N4O5 532.641000 |
SKYDOIZHCIVYDM-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1438
|
Local ready
Direct docking supported
|