| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L066526
LIG001096
|
dCeMM3
O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(Cl)cn1
|
C14H11ClN4OS 318.789000 |
OOYJNUNOVRCHJZ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB877
|
Local ready
Direct docking supported
|
|
E3L066528
LIG001098
|
MMH269
COC(=O)/C=C/c1ccc(C2=N[C@@H](CC(=O)OC(C)(C)C)c3nnc(C)n3-c3sc(C)c(C)c32)cc1
|
C27H30N4O4S 506.628000 |
OPBKNBKHQBJXGK-YPNIWSFNSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB601
|
Local ready
Direct docking supported
|
|
E3L066529
LIG001099
|
DS72
Fc1ccc2[nH]c(CNc3nc(N4CCOCC4)nc4c(Br)cnn34)nc2c1F
|
C17H15BrF2N8O 465.262000 |
OQEZGFYMQUIYPA-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1613
|
Local ready
Direct docking supported
|
|
E3L066530
LIG001100
|
Cpd. 4(MRT-7612)
O=C1CCC(N2Cc3cc(NC(=O)N4CC5(CCc6ccccc65)C4)ccc3C2=O)C(=O)N1
|
C25H24N4O4 444.491000 |
OQQVHOOGPOKBEK-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1077
|
Local ready
Direct docking supported
|
|
E3L066531
LIG001101
|
QXG-131-7
Cc1cccc2nc(C(=O)Nc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)cn12
|
C22H19N5O4 417.425000 |
OQUSNFDKOQRACC-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB384
|
Local ready
Direct docking supported
|
|
E3L066533
LIG001103
|
dTAG-47
CC[C@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1ccccc1OCC(=O)NCCCCCCCCNc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O)c1cc(OC)c(OC)c(OC)c1
|
C59H73N5O14 1076.254000 |
OQXAQHQPOQLCAE-ODPQSFPTSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB188
|
Local ready
Direct docking supported
|
|
E3L066534
LIG001104
|
5P
Cn1c(=O)n(C2CCC(=O)NC2=O)c2cccc(C#CCO)c21
|
C16H15N3O4 313.313000 |
OQZCOGQJDZAUOK-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB544
|
Local ready
Direct docking supported
|
|
E3L066535
LIG001105
|
18b
O=C1CCC(N2Cc3cccc([C@H]4C[C@@]4(COOCC(Cl)(Cl)Cl)c4ccc(Br)cc4)c3C2=O)C(=O)N1
|
C25H22BrCl3N2O5 616.723000 |
ORLMJROGYCPTEU-WEYXIGNSSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1118
|
Local ready
Direct docking supported
|
|
E3L066536
LIG001106
|
C7
CCOC(=O)C1CCCN(C(=O)c2nn(-c3ccc(C)c(C)c3)c(=O)n(Cc3cccc(S(C)(=O)=O)c3)c2=O)C1
|
C28H32N4O7S 568.652000 |
OROPGXIIWZTTPE-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1437
|
Local ready
Direct docking supported
|
|
E3L066537
LIG001107
|
LIG001107
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cncc(-c2ccc(F)c(C(=O)O)c2)c1)C1CCCCC1
|
C28H35FN4O4 510.610000 |
ORPIGORNDCHEIA-HDBFHEOPSA-N | - | - |
e3_ligand
e3_ligand:54
|
Local ready
Direct docking supported
|
|
E3L066538
LIG001108
|
23
CC(C)c1n[nH]c2c(NCc3ccc(-c4cnccn4)cc3)nc(SCCN)nc12
|
C21H24N8S 420.546000 |
ORQQCLLJNPKLIL-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB138
|
Local ready
Direct docking supported
|
|
E3L066539
LIG001109
|
cmpd 9
Cc1ccc(S(=O)(=O)Nc2nccc(Nc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)n2)cc1Cl
|
C24H19ClN6O6S 554.972000 |
OSTVMNVRRYGIFJ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB366
|
Local ready
Direct docking supported
|
|
E3L066540
LIG001110
|
dALK-2
Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(CCCCC#Cc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1
|
C47H52ClN7O7S 894.495000 |
OTEVLURFBOPEJH-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB280
|
Local ready
Direct docking supported
|
|
E3L066541
LIG001111
|
LL-K12-18
CCN(CC)CC(=O)N1CCN(c2nc(NCc3nc4cc(Cl)c(Cl)cc4[nH]3)c3ncn(CC)c3n2)CC1
|
C25H32Cl2N10O 559.506000 |
OTSBHVNFWKVPMY-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB457
|
Local ready
Direct docking supported
|
|
E3L066542
LIG001112
|
23
CCCCNc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O
|
C17H21N3O3 315.373000 |
OUEGCYAVXIPRPX-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, MolGlueDB
BindingDB:BDBM50630608; MolGlueDB:MGDB448
|
Local ready
Direct docking supported
|
|
E3L066543
LIG001113
|
beta-naphthoflavone
O=c1cc(-c2ccccc2)oc2ccc3ccccc3c12
|
C19H12O2 272.303000 |
OUGIDAPQYNCXRA-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, e3_ligand
BindingDB:BDBM50028963; e3_ligand:42
|
Local ready
Direct docking supported
|
|
E3L066544
LIG001114
|
ZXH-1-166
CN(c1ccccc1)C1N=C(Nc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)C=CN1
|
C24H24N6O3 444.495000 |
OUGYDJRJCNTMAZ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB515
|
Local ready
Direct docking supported
|
|
E3L066545
LIG001115
|
AB138
Nc1ccccc1C#CC(=O)NCc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O
|
C23H20N4O4 416.437000 |
OUNDKJAAMOQUGK-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1470
|
Local ready
Direct docking supported
|
|
E3L066546
LIG001116
|
SNS032
CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1
|
C17H24N4O2S2 380.539000 |
OUSFTKFNBAZUKL-UHFFFAOYSA-N | O14965, O95835, P51617, P51948, Q13233, Q92630 | Mitogen-activated protein kinase kinase kinase 1, Cyclin-H, Aurora kinase A, Dual specificity tyrosine-phosphorylation-regulated kinase 2, Interleukin-1 receptor-associated kinase 1, Serine/threonine-protein kinase LATS1 |
BindingDB, MolGlueDB
BindingDB:BDBM5931; MolGlueDB:MGDB89
|
Local ready
Direct docking supported
|
|
E3L066547
LIG001117
|
LYG-304
O=C1CCC(N2Cc3cc(CNC(=O)c4c[nH]c5ccccc5c4=O)ccc3C2=O)C(=O)N1
|
C24H20N4O5 444.447000 |
OVFRYADNHMKBSG-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1338
|
Local ready
Direct docking supported
|