| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L067050
LIG001620
|
22f
Cc1cccc(NC(=O)NCc2ccc3nnn(C4CCC(=O)NC4=O)c(=O)c3c2)c1
|
C21H20N6O4 420.429000 |
VDYYPIFMTAMSGI-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB307
|
Local ready
Direct docking supported
|
|
E3L067051
LIG001621
|
SJPYT-229
COc1ccc(OC)c(-n2nnc(C(=O)Nc3cc(NCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc(C(C)(C)C)c3)c2C)c1
|
C37H40N8O7 708.776000 |
VEGFQOMNZVNANA-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB688
|
Local ready
Direct docking supported
|
|
E3L067052
LIG001622
|
cmpd 4
O=C1CCC(N2Cc3cc(C4CCNCC4)ccc3C2=O)C(=O)N1
|
C18H21N3O3 327.384000 |
VETYNAAAOVQSDR-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1177
|
Local ready
Direct docking supported
|
|
E3L067053
LIG001623
|
LYG-301
O=C1CCC(N2Cc3cc(CNC(=O)c4coc5ccccc45)ccc3C2=O)C(=O)N1
|
C23H19N3O5 417.421000 |
VFCGWGHLKYNHQE-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1335
|
Local ready
Direct docking supported
|
|
E3L067054
LIG001624
|
compound 10
Cn1c(=O)n(C2CCC(=O)NC2=O)c2ccccc21
|
C13H13N3O3 259.265000 |
VFDZUWPTOYTMAL-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1, Protein cereblon |
BindingDB, e3_ligand, MolGlueDB
BindingDB:BDBM557564; e3_ligand:89; MolGlueDB:MGDB545
|
Local ready
Direct docking supported
|
|
E3L067055
LIG001625
|
alpha-naphthoflavone
O=c1cc(-c2ccccc2)oc2c1ccc1ccccc12
|
C19H12O2 272.303000 |
VFMMPHCGEFXGIP-UHFFFAOYSA-N | P35869 | - |
e3_ligand
e3_ligand:43
|
Local ready
Direct docking supported
|
|
E3L067056
LIG001626
|
CCT369260
C[C@@H]1CN(c2ncc(Cl)c(Nc3ccc4c(c3)n(CCC(C)(C)O)c(=O)n4C)n2)C[C@H](C)C1(F)F
|
C24H31ClF2N6O2 509.001000 |
VFNPUAOAEFMXQI-GASCZTMLSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, MolGlueDB
BindingDB:BDBM50511632; MolGlueDB:MGDB14
|
Local ready
Direct docking supported
|
|
E3L067057
LIG001627
|
FL3
O=C1CCC(N2C(=O)c3cccc(Nc4cccc(OS(=O)(=O)F)c4)c3C2=O)C(=O)N1
|
C19H14FN3O7S 447.400000 |
VFODQRZZHCBEKR-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1031
|
Local ready
Direct docking supported
|
|
E3L067058
LIG001628
|
dCeMM2
O=C(CSc1nnc2c(n1)[nH]c1ccccc12)Nc1ccc(Cl)cn1
|
C16H11ClN6OS 370.825000 |
VFWVTIHYVUKNGR-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB878
|
Local ready
Direct docking supported
|
|
E3L067060
LIG001630
|
18
Nc1ccc2c(c1)ncn2C1CCC(=O)NC1=O
|
C12H12N4O2 244.254000 |
VFZOAPWJMLHQTB-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB808
|
Local ready
Direct docking supported
|
|
E3L067061
LIG001631
|
4
NCCCCCCC#Cc1cc(N2C3CCC2CN(c2cc(-c4ccccc4O)nnc2N)C3)ccn1
|
C29H35N7O 497.647000 |
VGCMOQLBVXOZEB-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1314
|
Local ready
Direct docking supported
|
|
E3L067062
LIG001632
|
bestatin
CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)O
|
C16H24N2O4 308.378000 |
VGGGPCQERPFHOB-RDBSUJKOSA-N | Q13490 | - |
e3_ligand
e3_ligand:38
|
Local ready
Direct docking supported
|
|
E3L067063
LIG001633
|
4
CCN1CCC[C@@H](Oc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)C1
|
C20H25N3O4 371.437000 |
VGRDATXDONRIRI-LDCVWXEPSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB479
|
Local ready
Direct docking supported
|
|
E3L067064
LIG001634
|
3
CCN1CCC[C@H](Oc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)C1
|
C20H25N3O4 371.437000 |
VGRDATXDONRIRI-MYJWUSKBSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB480
|
Local ready
Direct docking supported
|
|
E3L067065
LIG001635
|
31
O=C1CCC(N2C(=O)c3ccc(N4CCCC4)cc3C2=O)C(=O)N1
|
C17H17N3O4 327.340000 |
VGSPZZGXZPFXAS-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1007
|
Local ready
Direct docking supported
|
|
E3L067066
LIG001636
|
4f
COC(=O)c1nc(NC(=O)Cn2cnc(C)c(C)c2=O)sc1CCc1cccc(Cl)c1
|
C21H21ClN4O4S 460.943000 |
VHDNTPDGGOIXIT-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1476
|
Local ready
Direct docking supported
|
|
E3L067067
LIG001637
|
22s
O=C1CCC(n2nnc3ccc(CNC(=O)Nc4ccc5ncsc5c4)cc3c2=O)C(=O)N1
|
C21H17N7O4S 463.479000 |
VHZHDDNVTKAFFC-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1242
|
Local ready
Direct docking supported
|
|
E3L067068
LIG001638
|
LIG001638
O=C1NC(O)CCC1N1C(=O)c2ccccc2C1=O
|
C13H12N2O4 260.249000 |
VIJDKBYTZNYJHN-UHFFFAOYSA-N | Q96SW2 | - |
e3_ligand
e3_ligand:141
|
Local ready
Direct docking supported
|
|
E3L067069
LIG001639
|
18
CCCCNc1ccc(C(=O)NC2CCC(=O)NC2=O)c(OC)c1
|
C17H23N3O4 333.388000 |
VIJYNGMYYHQSKH-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB446
|
Local ready
Direct docking supported
|
|
E3L067070
LIG001640
|
JP-2-247
COc1ccc(C(=O)/C=C/C(=O)N2CCC[C@@H](n3nc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)C2)cc1
|
C33H30N6O4 574.641000 |
VIQRYBMUDDUCDX-IKPXGLPCSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB649
|
Local ready
Direct docking supported
|