| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L066290
LIG000860
|
LC-02-121
COc1ccc(Nc2ccn3ncc(-c4ccc5c(c4)CN([C@H]4CCC(=O)NC4=O)C5=O)c3n2)cc1C
|
C27H24N6O4 496.527000 |
LIRALDJVEGMUCK-NRFANRHFSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB684
|
Local ready
Direct docking supported
|
|
E3L066291
LIG000861
|
9
O=C1CCC(N2C(=O)c3ccc(O)cc3C2=O)C(=O)N1
|
C13H10N2O5 274.232000 |
LJBQRRQTZUJWRC-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, MolGlueDB
BindingDB:BDBM50614094; MolGlueDB:MGDB1016
|
Local ready
Direct docking supported
|
|
E3L066296
LIG000866
|
9u
COc1ccc(-c2ccc3[nH]c(=O)c4nnn(-c5ccc(N6CCN(C(=O)/C=C/C(=O)c7ccc(F)c(F)c7)CC6)c(C(F)(F)F)c5)c4c3c2)cn1
|
C36H26F5N7O4 715.639000 |
LKCWXPICKQRPHZ-PKNBQFBNSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB664
|
Local ready
Direct docking supported
|
|
E3L066297
LIG000867
|
dBET-1
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCCNC(=O)COc1cccc3c1C(=O)N(C1CCC(=O)NC1=O)C3=O)c1nnc(C)n1-2
|
C38H37ClN8O7S 785.283000 |
LKEGXJXRNBALBV-PMCHYTPCSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, MolGlueDB
BindingDB:BDBM50544938; MolGlueDB:MGDB263
Related BindingDB:BDBM511595; Related BindingDB:BDBM511596
|
Local ready
Direct docking supported
|
|
E3L066299
LIG000869
|
LIG000869
N[C@@H](CO)C(=O)N[C@H]1CC(=O)NC1=O
|
C7H11N3O4 201.182000 |
LKHLRBNPDQTZHC-IMJSIDKUSA-N | Q96SW2 | - |
e3_ligand
e3_ligand:121
|
Local ready
Direct docking supported
|
|
E3L066300
LIG000870
|
5
C[C@]12CC[C@H](n3ccnc3)CC1=CCC1C2CC[C@@]2(C)C(n3cnc4ccccc43)=CCC12
|
C29H34N4 438.619000 |
LKIKZGJOIUJYGD-REFAWASTSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB17
|
Local ready
Direct docking supported
|
|
E3L066301
LIG000871
|
4
C[C@]12CC[C@H](n3ccnc3)CC1=CCC1C2CC[C@@]2(C)C(n3cnc4ccccc43)=CCC12
|
C29H34N4 438.619000 |
LKIKZGJOIUJYGD-REFAWASTSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB18
|
Local ready
Direct docking supported
|
|
E3L066302
LIG000872
|
VNPP433-3尾
C[C@]12CC[C@H](n3ccnc3)CC1=CCC1C2CC[C@]2(C)C(n3cnc4ccccc43)=CCC12
|
C29H34N4 438.619000 |
LKIKZGJOIUJYGD-ZWHDFXHCSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB19
|
Local ready
Direct docking supported
|
|
E3L066304
LIG000874
|
2N
CC(C)(C)OC(=O)NCCOc1ccc(-c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)cc1
|
C26H29N3O6 479.533000 |
LMEAYHFGYVXROR-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB114
|
Local ready
Direct docking supported
|
|
E3L066305
LIG000875
|
cmpd 14
O=C1CCC(N2C(=O)c3cccc(Nc4ccnc(NS(=O)(=O)c5cccc(C(F)(F)F)c5)n4)c3C2=O)C(=O)N1
|
C24H17F3N6O6S 574.497000 |
LMNPWUHFMCDDKL-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1034
|
Local ready
Direct docking supported
|
|
E3L066306
LIG000876
|
LYG-308
O=C1CCC(N2Cc3cc(CNC(=O)C4COc5ccccc5C4)ccc3C2=O)C(=O)N1
|
C24H23N3O5 433.464000 |
LMOHLKQFJBXMCY-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1342
|
Local ready
Direct docking supported
|
|
E3L066307
LIG000877
|
10O5
O=C1Nc2ccc(I)cc2/C1=C/c1cc(Br)c(O)c(Br)c1
|
C15H8Br2INO2 520.946000 |
LMXYVLFTZRPNRV-KMKOMSMNSA-N | Q8TEB1 | - |
e3_ligand
e3_ligand:130
|
Local ready
Direct docking supported
|
|
E3L066308
LIG000878
|
HQ022
NC(=O)CNC(=O)Cc1csc(Nc2ccccn2)n1
|
C12H13N5O2S 291.336000 |
LNJMZTRTZHJTHB-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB776
|
Local ready
Direct docking supported
|
|
E3L066309
LIG000879
|
dALK-2
COc1ccc(C(=O)/C=C/C(=O)N2CCC(n3cc(-c4cnc(N)c(O[C@H](C)c5c(Cl)ccc(F)c5Cl)c4)cn3)CC2)cc1
|
C32H30Cl2FN5O4 638.527000 |
LNKYZOQBRSXULR-JBVUFVISSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1424
|
Local ready
Direct docking supported
|
|
E3L066310
LIG000880
|
dALK-4
Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(CCN2CCN(c3cc4c(cc3F)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1
|
C47H55ClFN9O7S 944.531000 |
LNYKXBZNKIWMHU-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB285
|
Local ready
Direct docking supported
|
|
E3L066311
LIG000881
|
cmpd 10
CC(C)(C)Oc1ccc(S(=O)(=O)Nc2nccc(Nc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)n2)cc1
|
C27H26N6O7S 578.607000 |
LOGKFVONMQVJEE-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB120
|
Local ready
Direct docking supported
|
|
E3L066312
LIG000882
|
38
CC(C)Oc1ccc2cc(C(=O)Nc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)ccc2c1
|
C27H25N3O5 471.513000 |
LOMMSRKZDWHERH-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB164
|
Local ready
Direct docking supported
|
|
E3L066313
LIG000883
|
34
Nc1cccc(N2CCC(=O)NC2=O)c1
|
C10H11N3O2 205.217000 |
LOTJWUJRMOGKIV-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB819
|
Local ready
Direct docking supported
|
|
E3L066314
LIG000884
|
R2
O=C1CCC(NC(=O)c2ccc(Br)cc2)C(=O)N1
|
C12H11BrN2O3 311.135000 |
LPCQTAJHFUWPDE-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, MolGlueDB
BindingDB:BDBM733711; MolGlueDB:MGDB1383
|
Local ready
Direct docking supported
|
|
E3L066315
LIG000885
|
ZXH-1-170
O=C1CCC(N2Cc3c(NC4=NC(N5CCC[C@H]5CO)NC=C4)cccc3C2=O)C(=O)N1
|
C22H26N6O4 438.488000 |
LPNFGUZRKROHJR-DVWWIZEVSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1151
|
Local ready
Direct docking supported
|