| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L065509
LIG000079
|
MG-276
O=C1CCC(N2Cc3c(CCCCNC(=O)[C@@H]4NC5(CCCCC5)[C@@]5(C(=O)Nc6cc(Cl)ccc65)[C@H]4c4cccc(Cl)c4F)cccc3C2=O)C(=O)N1
|
C40H40Cl2FN5O5 760.694000 |
BARRRGHJVPGEOB-AKXSFRSWSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1122
|
Local ready
Direct docking supported
|
|
E3L065510
LIG000080
|
7
CCC(O)CSc1nc(NCc2ccc(-n3cccn3)cc2)c2[nH]nc(C(C)C)c2n1
|
C22H27N7OS 437.573000 |
BBEBFVIINBDLJM-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB431
|
Local ready
Direct docking supported
|
|
E3L065511
LIG000081
|
15b
C[C@@H]1CCCN(c2ncc(Cl)c(Nc3ccc4c(c3)c3c(c(=O)n4C)OCC(F)(F)[C@@H](C4CC4)N3)n2)C1
|
C26H29ClF2N6O2 531.007000 |
BBIACINZYUBHFF-JLCFBVMHSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB13
Related BindingDB:BDBM50606296; Related BindingDB:BDBM50606297
|
Local ready
Direct docking supported
|
|
E3L065512
LIG000082
|
15a
C[C@H]1CCCN(c2ncc(Cl)c(Nc3ccc4c(c3)c3c(c(=O)n4C)OCC(F)(F)[C@@H](C4CC4)N3)n2)C1
|
C26H29ClF2N6O2 531.007000 |
BBIACINZYUBHFF-RCDICMHDSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB27
|
Local ready
Direct docking supported
|
|
E3L065513
LIG000083
|
ZXH-1-144
CN(c1ccccc1)c1nccc(NCC(=O)Nc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)n1
|
C26H25N7O4 499.531000 |
BBLBXFIBZWEJOP-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, MolGlueDB
BindingDB:BDBM50541819; MolGlueDB:MGDB514
|
Local ready
Direct docking supported
|
|
E3L065514
LIG000084
|
dALK-12
Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(CCC(=O)N2CC3(C2)CN(c2cc4c(cc2F)C(=O)N(C2CCC(=O)NC2=O)C4=O)C3)CC1
|
C49H55ClFN9O8S 984.552000 |
BBNLUESPXORUPM-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB277
|
Local ready
Direct docking supported
|
|
E3L065515
LIG000085
|
6g
O=Cc1ccc(OCC#Cc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)cc1
|
C23H18N2O5 402.406000 |
BCKPZOUNJAIYGM-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1370
|
Local ready
Direct docking supported
|
|
E3L065516
LIG000086
|
LC-04-045
O=C1CC[C@H](N2Cc3cc(-c4cnc5n4CCN(Cc4ccccc4-c4ccccc4Cl)C5)ccc3C2=O)C(=O)N1
|
C32H28ClN5O3 566.061000 |
BCMOPTSSSQMZDU-MHZLTWQESA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1270
|
Local ready
Direct docking supported
|
|
E3L065517
LIG000087
|
13
O=C1CCC(N2Cc3cc(CNC(=O)Nc4ccc(Cl)cc4)ccc3C2=O)C(=O)N1
|
C21H19ClN4O4 426.860000 |
BCTZVDWPHVNFTR-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1187
|
Local ready
Direct docking supported
|
|
E3L065518
LIG000088
|
Nutlin-3B
COc1ccc(C2=N[C@H](c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1
|
C30H30Cl2N4O4 581.500000 |
BDUHCSBCVGXTJM-IZLXSDGUSA-N | O15151, Q00987 | E3 ubiquitin-protein ligase Mdm2, Protein Mdm4 |
BindingDB, e3_ligand
BindingDB:BDBM50392532; e3_ligand:37
|
Local ready
Direct docking supported
|
|
E3L065519
LIG000089
|
Nutlin-3
COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1
|
C30H30Cl2N4O4 581.500000 |
BDUHCSBCVGXTJM-UHFFFAOYSA-N | O15151, Q00987 | E3 ubiquitin-protein ligase Mdm2, Protein Mdm4 |
BindingDB, e3_ligand
BindingDB:BDBM31197; e3_ligand:9
|
Local ready
Direct docking supported
|
|
E3L065520
LIG000090
|
Nutlin-3A
COc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1
|
C30H30Cl2N4O4 581.500000 |
BDUHCSBCVGXTJM-WUFINQPMSA-N | O15151, Q00987 | E3 ubiquitin-protein ligase Mdm2, Protein Mdm4 |
BindingDB, e3_ligand
BindingDB:BDBM50229787; e3_ligand:46
|
Local ready
Direct docking supported
|
|
E3L065521
LIG000091
|
LIG000091
O=C(CCl)NC(C(=O)NCc1ccccc1)c1nc2ccccc2s1
|
C18H16ClN3O2S 373.865000 |
BDYFRJSOVNEEQZ-UHFFFAOYSA-N | - | - |
e3_ligand
e3_ligand:83
|
Local ready
Direct docking supported
|
|
E3L065522
LIG000092
|
Compound 10
O=C1CCC(N2Cc3cc(-c4nc5ccccn5c4NC45CC6CC(CC(C6)C4)C5)ccc3C2=O)C(=O)N1
|
C30H31N5O3 509.610000 |
BDZWATYRORWZMU-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1164
|
Local ready
Direct docking supported
|
|
E3L065523
LIG000093
|
8
O=C1CCC(N2Cc3c(ccc4c3OCC43CCN(Cc4ccccc4)C3)C2=O)C(=O)N1
|
C25H25N3O4 431.492000 |
BEOFMHXYIMYEEF-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1459
|
Local ready
Direct docking supported
|
|
E3L065524
LIG000094
|
LIG000094
O=C1CCC(N2C(=O)c3cccc4cccc(c34)C2=O)C(=O)N1
|
C17H12N2O4 308.293000 |
BERVIROBWDIAQO-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, e3_ligand
BindingDB:BDBM684557; e3_ligand:60
|
Local ready
Direct docking supported
|
|
E3L065525
LIG000095
|
compound 7
COc1cccnc1-c1cn(C2CCC(=O)NC2=O)nn1
|
C13H13N5O3 287.279000 |
BFDHHUBLUTWSOQ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB719
|
Local ready
Direct docking supported
|
|
E3L065526
LIG000096
|
C2
CCOC(=O)C1CCCN(C(=O)c2nn(-c3ccc(C)c(C)c3)c(=O)n(C)c2=O)C1
|
C21H26N4O5 414.462000 |
BFKCLCIMQUSXAR-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1432
|
Local ready
Direct docking supported
|
|
E3L065527
LIG000097
|
10
COc1n[nH]c2c(CN3CCCC3)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc12
|
C25H26N6O4 474.521000 |
BFUJTJQIZGRPQG-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, MolGlueDB
BindingDB:BDBM756008; MolGlueDB:MGDB1501
|
Local ready
Direct docking supported
|
|
E3L065528
LIG000098
|
NRX-103095
CN(C)C(=O)c1cccc(NC(=O)c2c(Sc3c(Cl)cccc3Cl)cc(C(F)(F)F)[nH]c2=O)c1
|
C22H16Cl2F3N3O3S 530.355000 |
BGEHEUAOZPAMKC-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB506
|
Local ready
Direct docking supported
|