| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L065482
LIG000052
|
Cpd. 6(FPFT-23227)
Cn1ccc(COc2ccc(-c3cccc(C4CCC(=O)NC4=O)c3Cl)cc2)n1
|
C22H20ClN3O3 409.873000 |
ATFVRCNMKWLFKW-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB558
|
Local ready
Direct docking supported
|
|
E3L065483
LIG000053
|
R10
O=C1CCC(NC(=O)c2n[nH]c3c(F)cccc23)C(=O)N1
|
C13H11FN4O3 290.254000 |
ATNRXAKKXMYJFN-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1390
|
Local ready
Direct docking supported
|
|
E3L065484
LIG000054
|
LC-04-039
O=C1CC[C@H](N2Cc3cc(-c4cnc5n4CCN(Cc4ccccc4-c4ccc(Cl)cc4)C5)ccc3C2=O)C(=O)N1
|
C32H28ClN5O3 566.061000 |
ATXNQTRYJSBQDG-MHZLTWQESA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1264
|
Local ready
Direct docking supported
|
|
E3L065485
LIG000055
|
ZXH-1-159
O=C1CCC(N2Cc3c(NC4=NC(NCCCC5CCC(=O)N5)NC=C4)cccc3C2=O)C(=O)N1
|
C24H29N7O4 479.541000 |
AUAUOEISPPGUKS-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1156
|
Local ready
Direct docking supported
|
|
E3L065486
LIG000056
|
LIG000056
CC1c2ccccc2C(=O)N1C1CCC(=O)NC1=O
|
C14H14N2O3 258.277000 |
AUQACSYQTCLUKE-UHFFFAOYSA-N | Q96SW2 | - |
e3_ligand
e3_ligand:174
|
Local ready
Direct docking supported
|
|
E3L065487
LIG000057
|
22
CC[C@H](CO)Nc1nc(NCc2ccc(C3=CCCCC3)cc2)c2ncn(C(C)C)c2n1
|
C25H34N6O 434.588000 |
AUWDNZUTYDGPFM-OAQYLSRUSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB210
|
Local ready
Direct docking supported
|
|
E3L065488
LIG000058
|
HQ019
CC(=O)Nc1nc(CC(=O)Nc2ncc(C)s2)cs1
|
C11H12N4O2S2 296.377000 |
AVKUTTYOGRAGFM-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB77
|
Local ready
Direct docking supported
|
|
E3L065489
LIG000059
|
LIG000059
CNC(=O)C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](c1cc(C)no1)C(C)C)c1ccc(Cl)cc1
|
C24H31ClN4O5 490.988000 |
AVTUCSSCVXIPKR-MDPIYQRISA-N | P40337 | - |
e3_ligand
e3_ligand:33
|
Local ready
Direct docking supported
|
|
E3L065490
LIG000060
|
18
O=C1CCC(N2Cc3cc(NCc4cccc5cnccc45)ccc3C2=O)C(=O)N1
|
C23H20N4O3 400.438000 |
AWZZVOJSADYHQF-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1219
|
Local ready
Direct docking supported
|
|
E3L065491
LIG000061
|
4
CC[C@H](CO)Nc1nc(NCc2ccc(-c3cccnc3)cc2)c2ncn(C(C)C)c2n1
|
C24H29N7O 431.544000 |
AXLQKORZTHWACD-HXUWFJFHSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB206
|
Local ready
Direct docking supported
|
|
E3L065493
LIG000063
|
4
Cn1c(=O)n(CCC(C)(C)O)c2cc(Nc3nc(N4CCC(F)(F)C(CO)C4)ncc3Cl)ccc21
|
C23H29ClF2N6O3 510.973000 |
AXXSGZFGJNDDCH-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, MolGlueDB
BindingDB:BDBM50511629; MolGlueDB:MGDB548
|
Local ready
Direct docking supported
|
|
E3L065495
LIG000065
|
ZXH-1-101
O=C1CCC(N2Cc3c(NC(=O)CNc4ccnc(Nc5ccc6c(c5)OCO6)n4)cccc3C2=O)C(=O)N1
|
C26H23N7O6 529.513000 |
AYCPJKZUTZCXTH-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, MolGlueDB
BindingDB:BDBM585778; MolGlueDB:MGDB1135
|
Local ready
Direct docking supported
|
|
E3L065496
LIG000066
|
MS4078
Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(CC(=O)NCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1
|
C45H52ClN9O8S 914.486000 |
AYMGZLUKTNXEMY-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB309
|
Local ready
Direct docking supported
|
|
E3L065497
LIG000067
|
34b
CC(NC(=O)Nc1ccc(C(F)(F)F)c(Cl)c1)c1ccc2nnn(C3CCC(=O)NC3=O)c(=O)c2c1
|
C22H18ClF3N6O4 522.871000 |
AYWUVRWBXDQPQO-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB180
|
Local ready
Direct docking supported
|
|
E3L065498
LIG000068
|
64
O=C1CCC(N2Cc3cc(NC(=O)Cc4ccc5ccccc5c4)ccc3C2=O)C(=O)N1
|
C25H21N3O4 427.460000 |
AZIYURSEHCWAPB-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1212
|
Local ready
Direct docking supported
|
|
E3L065499
LIG000069
|
34f
CC(NC(=O)Nc1ccc(C(C)(C)C)c(Cl)c1)c1ccc2nnn(C3CCC(=O)NC3=O)c(=O)c2c1
|
C25H27ClN6O4 510.982000 |
AZQGGAFHYOGHOF-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB181
|
Local ready
Direct docking supported
|
|
E3L065500
LIG000070
|
UM171
Cn1nnc(-c2ccc3c(c2)[nH]c2nc(Cc4ccccc4)nc(NC4CCC(N)CC4)c23)n1
|
C25H27N9 453.554000 |
AZXXGVPWWKWGAE-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB595
|
Local ready
Direct docking supported
|
|
E3L065506
LIG000076
|
16
O=C1CCC(n2cnc3ccccc32)C(=O)N1
|
C12H11N3O2 229.239000 |
BAKPTAUWMLOPKZ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, MolGlueDB
BindingDB:BDBM50631124; MolGlueDB:MGDB1053
|
Local ready
Direct docking supported
|
|
E3L065507
LIG000077
|
SJ7023
Cc1cc(S(=O)(=O)Nc2nccc(Nc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)n2)ccc1Cl
|
C24H19ClN6O6S 554.972000 |
BANBWRKKWPUUBM-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB312
|
Local ready
Direct docking supported
|
|
E3L065508
LIG000078
|
MG-277
O=C1CCC(N2Cc3c(CCCCCNC(=O)[C@@H]4NC5(CCCCC5)[C@@]5(C(=O)Nc6cc(Cl)ccc65)[C@H]4c4cccc(Cl)c4F)cccc3C2=O)C(=O)N1
|
C41H42Cl2FN5O5 774.721000 |
BANRYGZZIMCKNA-OYGJEQPESA-N | Q00987, Q96SW2 | Protein cereblon, E3 ubiquitin-protein ligase Mdm2 |
BindingDB, MolGlueDB
BindingDB:BDBM50505628; MolGlueDB:MGDB1121
|
Local ready
Direct docking supported
|