| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L066249
LIG000819
|
cmp22
CC(C)N1CCN(Cc2ccc(COc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)cc2)CC1
|
C28H34N4O4 490.604000 |
KSCHKWPNPVOIEC-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB163
|
Local ready
Direct docking supported
|
|
E3L066250
LIG000820
|
LIG000820
N[C@@H](CS)C(=O)N[C@H]1CC(=O)NC1=O
|
C7H11N3O3S 217.250000 |
KTBSNHDGKQXGMT-IMJSIDKUSA-N | Q96SW2 | - |
e3_ligand
e3_ligand:114
|
Local ready
Direct docking supported
|
|
E3L066251
LIG000821
|
CC-647
CC(C)(C)c1cccc(Oc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)c1
|
C23H22N2O5 406.438000 |
KTDDHJCPFRGLJQ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB84
|
Local ready
Direct docking supported
|
|
E3L066252
LIG000822
|
17
O=C1CCC(N2Cc3cc(NCc4ccc5ccccc5n4)ccc3C2=O)C(=O)N1
|
C23H20N4O3 400.438000 |
KTESLKFQASIVBB-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1231
|
Local ready
Direct docking supported
|
|
E3L066253
LIG000823
|
SJPYT-220
COc1ccc(OC)c(-n2nnc(C(=O)Nc3cc(OC(=O)CNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc(C(C)(C)C)c3)c2C)c1
|
C37H37N7O9 723.743000 |
KTHRDWMJSRGSFF-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB689
|
Local ready
Direct docking supported
|
|
E3L066254
LIG000824
|
Compound 13
Cc1cccc2nc(-c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)c(NC(C)(C)CC(C)(C)C)n12
|
C29H33N5O4 515.614000 |
KUEAQRFQMDBNHE-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB385
|
Local ready
Direct docking supported
|
|
E3L066255
LIG000825
|
46
Cc1ccc(NC(=O)NCc2cccc(N3CCC(=O)NC3=O)c2)cc1Cl
|
C19H19ClN4O3 386.839000 |
KUJRWRWBXCVOAF-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB344
|
Local ready
Direct docking supported
|
|
E3L066256
LIG000826
|
LYG-108
Cc1ccc(C/C(=N\N)C(=O)NCc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)cc1Cl
|
C24H24ClN5O4 481.940000 |
KUOXDHYQUOUAFS-VUTHCHCSSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1327
|
Local ready
Direct docking supported
|
|
E3L066257
LIG000827
|
SJPYT-231
CC(=O)Nc1cc(Nc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc(C(C)(C)C)c1
|
C25H26N4O5 462.506000 |
KUYXUOZPCBPBFN-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB68
|
Local ready
Direct docking supported
|
|
E3L066258
LIG000828
|
3
COc1cc2onc(C)c2cc1NS(=O)(=O)c1cc(Br)ccc1OC
|
C16H15BrN2O5S 427.276000 |
KVGNGFGTOSOVPB-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB725
|
Local ready
Direct docking supported
|
|
E3L066259
LIG000829
|
CQS
Nc1ccc(S(=O)(=O)Nc2cnc3cccc(Cl)c3n2)cc1
|
C14H11ClN4O2S 334.788000 |
KVMINEIJMQXASX-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1396
|
Local ready
Direct docking supported
|
|
E3L066260
LIG000830
|
7e
COc1cc2onc(C)c2cc1NS(=O)(=O)c1cc(Br)ccc1OCC(=O)NCCCCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
|
C36H37BrN6O10S 825.695000 |
KVMOKFRRXZWZEP-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB727
|
Local ready
Direct docking supported
|
|
E3L066261
LIG000831
|
5
O=C1CCC(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C(=O)N1
|
C13H9N3O6 303.230000 |
KVRCAGKHAZRSQX-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, MolGlueDB
BindingDB:BDBM50516600; MolGlueDB:MGDB969
|
Local ready
Direct docking supported
|
|
E3L066263
LIG000833
|
C10
CCOC(=O)C1CCCN(C(=O)c2nn(-c3ccc(C)c(C)c3)c(=O)n(Cc3ccc(C)cc3)c2=O)C1
|
C28H32N4O5 504.587000 |
KXDBEOYKWQHYRC-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1440
|
Local ready
Direct docking supported
|
|
E3L066264
LIG000834
|
37
O=C1CCC(c2cccc(OCc3ccc(CN4CCOCC4)cc3)c2)C(=O)N1
|
C23H26N2O4 394.471000 |
KXEXROVTOHCVHU-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB925
|
Local ready
Direct docking supported
|
|
E3L066265
LIG000835
|
LC-04-162
Cc1nn2ccc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc2c1Cl
|
C20H16ClN5O3 409.833000 |
KXNAVMGMZGFFGH-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB420
|
Local ready
Direct docking supported
|
|
E3L066266
LIG000836
|
LXH-3-71
C=C1CC2(C)C(CCC3[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@]4(C(=O)NCCNC(=O)Nc4ccc(OC)cc4)CC[C@]23C)[C@@H](C)C1=O
|
C39H55N3O4 629.886000 |
KYNUCBCDVCHZOM-ZDGYTYPGSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB30
|
Local ready
Direct docking supported
|
|
E3L066267
LIG000837
|
Compound 1-Me
CN1C(=O)CCC(N2Cc3cc(-c4nc5ccccn5c4NC(C)(C)C)ccc3C2=O)C1=O
|
C25H27N5O3 445.523000 |
KYOASZVOEAONGQ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB538
|
Local ready
Direct docking supported
|
|
E3L066268
LIG000838
|
15
CN(C)c1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
|
C15H15N3O4 301.302000 |
KZOPTBQMBQZRBC-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB512
|
Local ready
Direct docking supported
|
|
E3L066269
LIG000839
|
23b
O=C1CCC(n2nnc3cc(CNC(=O)Nc4ccc(Cl)cc4)ccc3c2=O)C(=O)N1
|
C20H17ClN6O4 440.847000 |
LAGBNOHZJRUZOB-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB767
|
Local ready
Direct docking supported
|