| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L066443
LIG001013
|
DS17
CC[C@H](CO)Nc1nc(NCc2nc3cc(Cl)c(Cl)cc3[nH]2)c2ncn(C(C)C)c2n1
|
C20H24Cl2N8O 463.373000 |
NIAQZRDKVVUEMV-LLVKDONJSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB226
|
Local ready
Direct docking supported
|
|
E3L066444
LIG001014
|
58
O=C1CCC(N2Cc3cc(NC(=O)C4=COc5ccccc5O4)ccc3C2=O)C(=O)N1
|
C22H17N3O6 419.393000 |
NIKSBFIHOGSQSH-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1211
|
Local ready
Direct docking supported
|
|
E3L066445
LIG001015
|
25
NCCSc1nc(NCc2ccc(-c3ccccn3)cc2)c2[nH]nc(C3CCC3)c2n1
|
C23H25N7S 431.569000 |
NISFDVKKOILICU-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB845
|
Local ready
Direct docking supported
|
|
E3L066446
LIG001016
|
LIG001016
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C1CCCCC1
|
C27H40N4O3 468.642000 |
NJUHOYLCAHNNLJ-QODFHFCMSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, e3_ligand
BindingDB:BDBM13175; e3_ligand:40
Related BindingDB:BDBM50512891
|
Local ready
Direct docking supported
|
|
E3L066447
LIG001017
|
LIG001017
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C1CCCCC1
|
C27H40N4O3 468.642000 |
NJUHOYLCAHNNLJ-QODFHFCMSA-N | - | - |
e3_ligand
e3_ligand:40
|
Local ready
Direct docking supported
|
|
E3L066448
LIG001018
|
10
O=C1CCC(N2Cc3c(cccc3-c3ccc4[nH]ncc4c3)C2=O)C(=O)N1
|
C20H16N4O3 360.373000 |
NJYUKMUHQAXAAF-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1381
|
Local ready
Direct docking supported
|
|
E3L066449
LIG001019
|
9f
COc1ccc(-c2ccc3[nH]c(=O)c4nnn(-c5ccc(N6CCN(C(=O)/C=C/C(=O)c7ccc(C(F)(F)F)cc7)CC6)c(C(F)(F)F)c5)c4c3c2)cn1
|
C37H27F6N7O4 747.656000 |
NLLOJQHFLLXLOV-ACCUITESSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB668
|
Local ready
Direct docking supported
|
|
E3L066450
LIG001020
|
KPT-185
COc1cc(-c2ncn(/C=C\C(=O)OC(C)C)n2)cc(C(F)(F)F)c1
|
C16H16F3N3O3 355.316000 |
NLNGWFLRRRYNIL-PLNGDYQASA-N | - | - |
MolGlueDB
MolGlueDB:MGDB634
|
Local ready
Direct docking supported
|
|
E3L066451
LIG001021
|
C1
CCOC(=O)C1CCCN(C(=O)c2nn(-c3ccc(C)c(C)c3)c(=O)n(Cc3cccc(F)c3)c2=O)C1
|
C27H29FN4O5 508.550000 |
NLUJFONCYKDMGL-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB490
|
Local ready
Direct docking supported
|
|
E3L066453
LIG001023
|
LC-04-077
N#Cc1cnn2ccc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc12
|
C20H14N6O3 386.371000 |
NMJBTMAEPJCFSH-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB760
|
Local ready
Direct docking supported
|
|
E3L066454
LIG001024
|
28
CC[C@H](CO)Nc1nc(NCc2ccc(-c3ccoc3)cc2)c2ncn(C(C)C)c2n1
|
C23H28N6O2 420.517000 |
NNNGCBRKAYZWRD-LJQANCHMSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB214
|
Local ready
Direct docking supported
|
|
E3L066455
LIG001025
|
15
O=C1CCC(N2Cc3c(ccc4c3OCC43CCN(Cc4ccsc4)CC3)C2=O)C(=O)N1
|
C24H25N3O4S 451.548000 |
NOQRUWPFICADHE-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1466
|
Local ready
Direct docking supported
|
|
E3L066456
LIG001026
|
ACE
CC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2
|
C19H22N2OS 326.465000 |
NOSIYYJFMPDDSA-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB49
|
Local ready
Direct docking supported
|
|
E3L066457
LIG001027
|
LIG001027
N=C(N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)O
|
C72H146N48O13 1892.283000 |
NOUMWYQIPVUCAC-AUKLCZKGSA-N | - | - |
e3_ligand
e3_ligand:105
|
Local ready
Direct docking supported
|
|
E3L066458
LIG001028
|
LYG-205
O=C1CCC(N2Cc3cc(CNC(=O)C(Cc4ccc(F)cc4)NC(=O)CO)ccc3C2=O)C(=O)N1
|
C25H25FN4O6 496.495000 |
NOXLMWXVGVKIEN-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1332
|
Local ready
Direct docking supported
|
|
E3L066459
LIG001029
|
DS53
CC[C@H](CO)Nc1nc(NCc2ccc(-c3ccncc3)nc2)c2ncn(C(C)C)c2n1
|
C23H28N8O 432.532000 |
NPMNSMOOUPMFMV-GOSISDBHSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1594
|
Local ready
Direct docking supported
|
|
E3L066460
LIG001030
|
16
CC(C)c1n[nH]c2c(NCc3ccc(-n4ccnc4)cc3)nc(S)nc12
|
C18H19N7S 365.466000 |
NPSQTBSEHHLTRX-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB155
|
Local ready
Direct docking supported
|
|
E3L066461
LIG001031
|
1
N[C@H]1CCC(=O)NC1=O
|
C5H8N2O2 128.131000 |
NPWMTBZSRRLQNJ-VKHMYHEASA-N | - | - |
MolGlueDB
MolGlueDB:MGDB773
|
Local ready
Direct docking supported
|
|
E3L066462
LIG001032
|
R12
O=C1CCC(NC(=O)c2c[nH]c3ccc(F)cc23)C(=O)N1
|
C14H12FN3O3 289.266000 |
NQCRZYQTPWZKRZ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1392
|
Local ready
Direct docking supported
|
|
E3L066463
LIG001033
|
AN5379
Cc1nc2ccccc2cc1C(=O)N/N=C/c1ccccc1O
|
C18H15N3O2 305.337000 |
NRISGKIRFKEZRQ-YBFXNURJSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB413
|
Local ready
Direct docking supported
|