| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L067071
LIG001641
|
1G
CCCCNC(=O)c1cccc(-c2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)c1
|
C24H25N3O4 419.481000 |
VJKMNVAQCKRJMO-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB442
|
Local ready
Direct docking supported
|
|
E3L067072
LIG001642
|
T04
O=C1CCC(N2C(=O)c3ccc(NC(=O)COCCOCCOCc4ccccc4)cc3C2=O)C(=O)N1
|
C26H27N3O8 509.515000 |
VJTDVVZONYAPKD-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB964
|
Local ready
Direct docking supported
|
|
E3L067073
LIG001643
|
CPD-2380
O=C1CCC(N2Cc3ccccc3C2)C(=O)N1
|
C13H14N2O2 230.267000 |
VJWHSCYAWWAUKE-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, MolGlueDB
BindingDB:BDBM50631801; MolGlueDB:MGDB373
|
Local ready
Direct docking supported
|
|
E3L067074
LIG001644
|
HQ012
Cc1cccc(Nc2nc(CC(=O)Nc3nc(-c4ccco4)cs3)cs2)n1
|
C18H15N5O2S2 397.485000 |
VKFSMKZFUPIFKK-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB376
|
Local ready
Direct docking supported
|
|
E3L067075
LIG001645
|
9j
CCOc1ccc(C(=O)/C=C/C(=O)N2CCN(c3ccc(-n4nnc5c(=O)[nH]c6ccc(-c7ccc(OC)nc7)cc6c54)cc3C(F)(F)F)CC2)cc1
|
C38H32F3N7O5 723.712000 |
VKPBPJMGOHOGNF-FYWRMAATSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB497
|
Local ready
Direct docking supported
|
|
E3L067076
LIG001646
|
LC-04-087
O=C1CCC(N2Cc3cc(-c4ccn5ncc(Cl)c5n4)ccc3C2=O)C(=O)N1
|
C19H14ClN5O3 395.806000 |
VLQCOELYHBYNNI-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1172
|
Local ready
Direct docking supported
|
|
E3L067077
LIG001647
|
8a
Cn1c(=O)c2c(c3cc(Nc4nc(N5CCC(F)(F)[C@@H](O)C5)ncc4Cl)ccc31)N[C@H](C1CC1)C(F)(F)CO2
|
C25H25ClF4N6O3 568.959000 |
VMGLHACLWFOJMH-FXAWDEMLSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB531
Related BindingDB:BDBM50606284; Related BindingDB:BDBM50606283
|
Local ready
Direct docking supported
|
|
E3L067078
LIG001648
|
13
O=C1CCC(N2Cc3cc(NCc4ccc5c(c4)oc4ccccc45)ccc3C2=O)C(=O)N1
|
C26H21N3O4 439.471000 |
VMIRQGWKDHITLC-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1221
|
Local ready
Direct docking supported
|
|
E3L067079
LIG001649
|
DS37
CC[C@H](CO)Nc1nc(NCCC2CC2)c2ncn(C(C)C)c2n1
|
C17H28N6O 332.452000 |
VMOKEQKQFWUTBY-CYBMUJFWSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1589
|
Local ready
Direct docking supported
|
|
E3L067080
LIG001650
|
LYG-403
O=C1CCC(N2Cc3cc(CNC(=O)C4=Cc5cc(F)ccc5OC4)ccc3C2=O)C(=O)N1
|
C24H20FN3O5 449.438000 |
VMTQISRZNBVQQV-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1346
|
Local ready
Direct docking supported
|
|
E3L067081
LIG001651
|
DS15
CC[C@H](CO)Nc1nc(NCCCCCc2cccc3ccccc23)c2ncn(C(C)C)c2n1
|
C27H36N6O 460.626000 |
VMZLWLKLMRYJFQ-JOCHJYFZSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB229
|
Local ready
Direct docking supported
|
|
E3L067082
LIG001652
|
3
Cc1c[nH]c2c(NS(=O)(=O)c3ccc(S(N)(=O)=O)cc3)cccc12
|
C15H15N3O4S2 365.436000 |
VNDZABLOJMIXEU-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1400
|
Local ready
Direct docking supported
|
|
E3L067083
LIG001653
|
11
CC[C@H](CO)Nc1nc(NCc2ccc(-c3cccc(F)n3)cc2)c2ncn(C(C)C)c2n1
|
C24H28FN7O 449.534000 |
VOBRFZVGCJOTHM-GOSISDBHSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB215
|
Local ready
Direct docking supported
|
|
E3L067084
LIG001654
|
6-OH-EM12
O=C1CCC(N2Cc3ccc(O)cc3C2=O)C(=O)N1
|
C13H12N2O4 260.249000 |
VOTVGZSDHZUGID-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, MolGlueDB
BindingDB:BDBM50614098; MolGlueDB:MGDB1243
|
Local ready
Direct docking supported
|
|
E3L067085
LIG001655
|
Lib-D-5D
CN1CCN(c2ncc(/C=N/NC(=O)COc3ccccc3-c3cccc4c3CN(C3CCC(=O)N(C)C3=O)C4=O)s2)CC1
|
C31H33N7O5S 615.716000 |
VOVBTTGMFWENFX-ATZGPIRCSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB579
|
Local ready
Direct docking supported
|
|
E3L067086
LIG001656
|
cmp14
O=C1CCC(N2Cc3c(OCc4ccc(CN5CCN(c6ccc(F)cc6)CC5)cc4)cccc3C2=O)C(=O)N1
|
C31H31FN4O4 542.611000 |
VPQDIVZJFLZFOP-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1112
|
Local ready
Direct docking supported
|
|
E3L067087
LIG001657
|
ZXH-1-186
CC(C)[C@H](CO)Nc1nccc(Nc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)n1
|
C22H26N6O4 438.488000 |
VPQRVEXRSZBNQQ-BHWOMJMDSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB130
|
Local ready
Direct docking supported
|
|
E3L067088
LIG001658
|
LIG001658
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2[C@@H](F)[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)S)cc1
|
C25H30F2N4O4S2 552.669000 |
VPUMMKBPIDPYKG-CGBFIWBNSA-N | P40337 | - |
e3_ligand
e3_ligand:164
|
Local ready
Direct docking supported
|
|
E3L067089
LIG001659
|
17
COc1cc2nn([C@H]3CC[C@H](CN(C)CCCO[C@H]4C[C@H](Nc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
|
C43H47F3N8O7 844.892000 |
VPXGVLREMMWXOO-LXKXFIAUSA-N | Q96SW2 | Protein cereblon |
BindingDB, MolGlueDB
BindingDB:BDBM50639842; MolGlueDB:MGDB742
|
Local ready
Direct docking supported
|
|
E3L067090
LIG001660
|
cmp61
O=C1CC[C@@H](N2Cc3c(OCc4ccc(CN5CCN(c6ccc(F)cc6F)CC5)cc4)cccc3C2=O)C(=O)N1
|
C31H30F2N4O4 560.601000 |
VQDRNQBRRSNVOR-HHHXNRCGSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB912
|
Local ready
Direct docking supported
|