| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L066187
LIG000757
|
CU-0904
Cn1cc(-n2cnc3c(NCc4nc5cc(F)c(F)cc5[nH]4)nc(N4CCOCC4)nc32)cn1
|
C21H20F2N10O 466.456000 |
JVTYTNXXRWZBHG-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB556
|
Local ready
Direct docking supported
|
|
E3L066188
LIG000758
|
9o
Cc1c(Cl)cc(NC(=O)CCc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)cc1N1CC(N2CCOCC2)C1
|
C30H34ClN5O5 580.085000 |
JWAYNCZQAAKELJ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB291
|
Local ready
Direct docking supported
|
|
E3L066189
LIG000759
|
LIG000759
C[C@]1(N2Cc3ccccc3C2=O)CCC(=O)NC1=O
|
C14H14N2O3 258.277000 |
JWDKCZQCIQPBJC-AWEZNQCLSA-N | Q96SW2 | - |
e3_ligand
e3_ligand:173
|
Local ready
Direct docking supported
|
|
E3L066190
LIG000760
|
LIG000760
C[C@@]1(N2Cc3ccccc3C2=O)CCC(=O)NC1=O
|
C14H14N2O3 258.277000 |
JWDKCZQCIQPBJC-CQSZACIVSA-N | Q96SW2 | - |
e3_ligand
e3_ligand:172
|
Local ready
Direct docking supported
|
|
E3L066191
LIG000761
|
LIG000761
CC1(N2Cc3ccccc3C2=O)CCC(=O)NC1=O
|
C14H14N2O3 258.277000 |
JWDKCZQCIQPBJC-UHFFFAOYSA-N | Q96SW2 | - |
e3_ligand
e3_ligand:162
|
Local ready
Direct docking supported
|
|
E3L066192
LIG000762
|
Compound 2
CC(C)CCOc1ccccc1CCNS(=O)(=O)Nc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O
|
C26H32N4O6S 528.631000 |
JWHFBUOSCSBXLO-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB158
|
Local ready
Direct docking supported
|
|
E3L066193
LIG000763
|
7e
O=C1CCC(NC(=O)c2ccccc2[N+](=O)[O-])C(=O)N1
|
C12H11N3O5 277.236000 |
JWNNYAHNQJDBPO-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB899
|
Local ready
Direct docking supported
|
|
E3L066194
LIG000764
|
dCDK-1
CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(CCOCCOCCNC(=O)CNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cn3)nc2n(C2CCCC2)c1=O
|
C45H53N11O9 891.987000 |
JWNZXWGMBRXMPK-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB46
|
Local ready
Direct docking supported
|
|
E3L066195
LIG000765
|
cmp24
O=C1CCC(N2Cc3c(OCc4ccc(CN5CCC(C(F)(F)F)CC5)cc4)cccc3C2=O)C(=O)N1
|
C27H28F3N3O4 515.532000 |
JXIAZCAMKCEWTF-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1103
|
Local ready
Direct docking supported
|
|
E3L066196
LIG000766
|
DS62
Cn1cc(-n2cnc3c(NCc4ccc(OCCO)cc4)nc(N4CCOCC4)nc32)cn1
|
C22H26N8O3 450.503000 |
JXJRJIWLBNBTAV-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1622
|
Local ready
Direct docking supported
|
|
E3L066197
LIG000767
|
8b
Nc1cccc(C(=O)NC2CCC(=O)NC2=O)c1F
|
C12H12FN3O3 265.244000 |
JXKRMKVDNCFRFC-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, MolGlueDB
BindingDB:BDBM50630591; MolGlueDB:MGDB814
|
Local ready
Direct docking supported
|
|
E3L066198
LIG000768
|
compound 5
COc1ccccc1-c1cn(C2CCC(=O)NC2=O)nn1
|
C14H14N4O3 286.291000 |
JXULUMIIKSANAK-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB714
|
Local ready
Direct docking supported
|
|
E3L066199
LIG000769
|
27
NCCSc1nc(NCc2ccc(-c3ccccn3)cc2)c2[nH]nc(C3CCCC3)c2n1
|
C24H27N7S 445.596000 |
JXVLTDGQDFESCZ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB847
|
Local ready
Direct docking supported
|
|
E3L066200
LIG000770
|
9e
Cc1ccc(NC(=O)NCc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)cc1Cl
|
C22H21ClN4O4 440.887000 |
JZFGEKDBVDHOTP-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, MolGlueDB
BindingDB:BDBM576138; MolGlueDB:MGDB351
|
Local ready
Direct docking supported
|
|
E3L066201
LIG000771
|
Nimbolide
COC(=O)C[C@H]1[C@]2(C)C3=C(C)[C@H](c4ccoc4)C[C@H]3O[C@@H]2[C@@H]2OC(=O)[C@]3(C)C=CC(=O)[C@@]1(C)[C@@H]23
|
C27H30O7 466.530000 |
JZIQWNPPBKFOPT-LSYMHUITSA-N | Q9Y508 | - |
e3_ligand
e3_ligand:65
|
Local ready
Direct docking supported
|
|
E3L066202
LIG000772
|
1N
CC(C)(C)OC(=O)NCCOc1ccc(-c2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)cc1
|
C26H29N3O6 479.533000 |
JZKJGGSNRCNRCB-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB115
|
Local ready
Direct docking supported
|
|
E3L066203
LIG000773
|
LIG000773
Cn1c2c(n(C3CCC(=O)NC3=O)c1=O)C=CC=CC2
|
C14H15N3O3 273.292000 |
KAKHFWABGYSZQT-UHFFFAOYSA-N | Q96SW2 | - |
e3_ligand
e3_ligand:140
|
Local ready
Direct docking supported
|
|
E3L066204
LIG000774
|
DS04
CC[C@H](CO)Nc1nc(NCc2ccc(-c3ccc(-c4ccccc4)cc3)cc2)c2ncn(C(C)C)c2n1
|
C31H34N6O 506.654000 |
KAKKQOBMJIORNG-HHHXNRCGSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1571
|
Local ready
Direct docking supported
|
|
E3L066205
LIG000775
|
25
O=C1CCC(c2ccccc2)C(=O)N1
|
C11H11NO2 189.214000 |
KAKZYGLQCHMNGS-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1, Protein cereblon |
BindingDB, e3_ligand, MolGlueDB
BindingDB:BDBM475151; e3_ligand:74; MolGlueDB:MGDB929
|
Local ready
Direct docking supported
|
|
E3L066207
LIG000777
|
LIG000777
NCC(=O)N[C@H]1CCC(=O)NC1=O
|
C7H11N3O3 185.183000 |
KAUXYJRFNMKMAE-BYPYZUCNSA-N | Q96SW2 | - |
e3_ligand
e3_ligand:95
|
Local ready
Direct docking supported
|