| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L066505
LIG001075
|
ZXH-1-182
O=C1CCC(N2Cc3c(Nc4ccnc(-c5cc6ccccc6o5)n4)cccc3C2=O)C(=O)N1
|
C25H19N5O4 453.458000 |
OGNFZSWSZFJIJY-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1140
|
Local ready
Direct docking supported
|
|
E3L066506
LIG001076
|
22b
O=C1CCC(N2C(=O)c3ccc(C4=C[C@@]4(COOCC(Cl)(Cl)Cl)c4ccc(Br)cc4)cc3C2=O)C(=O)N1
|
C25H18BrCl3N2O6 628.690000 |
OGUXFJJARYZJDB-JKSFWZLDSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB995
|
Local ready
Direct docking supported
|
|
E3L066507
LIG001077
|
17b
CN1C(=O)CCC(CSc2ccc(Cl)cc2)C1=O
|
C13H14ClNO2S 283.780000 |
OHQZFZDHEZPLPU-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB532
|
Local ready
Direct docking supported
|
|
E3L066508
LIG001078
|
11
CCOc1cc(-c2cn(C3CCC(=O)NC3=O)nn2)cs1
|
C13H14N4O3S 306.347000 |
OHTZYARSHWISJC-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1304
|
Local ready
Direct docking supported
|
|
E3L066509
LIG001079
|
DS58
CC(C)n1cnc2c(NCc3ccc(-c4ccccn4)cc3)nc(N(Cc3ccc(OCc4ccccc4)cc3)Cc3nnc[nH]3)nc21
|
C37H36N10O 636.764000 |
OJCJKFBTXCLERR-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1605
|
Local ready
Direct docking supported
|
|
E3L066510
LIG001080
|
LL-K12-2
CC(=O)N1CCN(c2nc(NCc3nc4cc(Cl)c(Cl)cc4[nH]3)c3ncn(-c4cnn(C)c4)c3n2)CC1
|
C23H23Cl2N11O 540.419000 |
OJIOEOIKVMRCPR-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB67
|
Local ready
Direct docking supported
|
|
E3L066511
LIG001081
|
13
O=C1CCC(N2Cc3c(ccc4c3OCC43CCN(CC4CCCCC4)CC3)C2=O)C(=O)N1
|
C26H33N3O4 451.567000 |
OJSPFOUZDGKFOA-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1464
|
Local ready
Direct docking supported
|
|
E3L066512
LIG001082
|
NKT-147
CN[C@H]1CCCC[C@@H]1N(C)c1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
|
C21H26N4O4 398.463000 |
OKCAIIWEMWQKMS-PYNWJHIZSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB528
|
Local ready
Direct docking supported
|
|
E3L066513
LIG001083
|
dGEM3-NEG
CC(C)(C)[C@H](NC(=O)c1ncon1)C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(-c2ccc(CC#N)cc2)cc1
|
C29H32N6O5 544.612000 |
OKEHJMCTCXVLSW-TZRRMPRUSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1447
|
Local ready
Direct docking supported
|
|
E3L066514
LIG001084
|
26
OCCSc1nc(NCc2ccc(-c3ccccn3)cc2)c2[nH]nc(C3CCC3)c2n1
|
C23H24N6OS 432.553000 |
OKTBGBBXWGXZHP-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB29
|
Local ready
Direct docking supported
|
|
E3L066515
LIG001085
|
Z12
COc1cc2nc(CN3CCc4sccc4C3)[nH]c(=O)c2cc1OC
|
C18H19N3O3S 357.435000 |
OKUZLQSVACVDFQ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB736
|
Local ready
Direct docking supported
|
|
E3L066516
LIG001086
|
BMS-214662
N#Cc1ccc2c(c1)CN(S(=O)(=O)c1cccs1)[C@H](Cc1ccccc1)CN2Cc1cnc[nH]1
|
C25H23N5O2S2 489.626000 |
OLCWFLWEHWLBTO-HSZRJFAPSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1445
|
Local ready
Direct docking supported
|
|
E3L066517
LIG001087
|
HQ001
Cc1cnc(NC(=O)Cc2csc(Nc3cccc(F)n3)n2)s1
|
C14H12FN5OS2 349.416000 |
OLEYDMXPANCHPA-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB398
|
Local ready
Direct docking supported
|
|
E3L066518
LIG001088
|
12
Nc1ccc(NC2CCC(=O)NC2=O)cc1
|
C11H13N3O2 219.244000 |
OLKPBBFWKKDULV-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB806
|
Local ready
Direct docking supported
|
|
E3L066519
LIG001089
|
DS65
CC[C@H](CO)Nc1nc(NCCCc2ccc(Cl)c(Cl)c2)c2ncn(C(C)C)c2n1
|
C21H28Cl2N6O 451.402000 |
OLTUKTKUEARKCY-OAHLLOKOSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1579
|
Local ready
Direct docking supported
|
|
E3L066520
LIG001090
|
9
Cn1nnc(-c2ccc3c(c2)[nH]c2nc(Cc4ccccc4)nc(N[C@H]4CC[C@H](N(C)C)CC4)c23)n1
|
C27H31N9 481.608000 |
OLWQMWKXQQMRPU-MXVIHJGJSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1417
|
Local ready
Direct docking supported
|
|
E3L066521
LIG001091
|
DKY-709
O=C1CCC(N2Cc3cc(C4CCN(Cc5ccccc5)CC4)ccc3C2=O)C(=O)N1
|
C25H27N3O3 417.509000 |
OMISHRJQMYQPMG-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1176
|
Local ready
Direct docking supported
|
|
E3L066523
LIG001093
|
LIG001093
O=C1CCC(n2ncc3ccccc3c2=O)C(=O)N1
|
C13H11N3O3 257.249000 |
OMSOECOCKUQMCY-UHFFFAOYSA-N | Q96SW2 | - |
e3_ligand
e3_ligand:145
|
Local ready
Direct docking supported
|
|
E3L066524
LIG001094
|
TMX-4116
COc1c(-c2cn(C3CCC(=O)NC3=O)nn2)csc1C(=O)N1CCCC1
|
C17H19N5O4S 389.437000 |
OOIINFBRWZQRRM-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB613
|
Local ready
Direct docking supported
|
|
E3L066525
LIG001095
|
LIG001095
O=C(CCl)NC(C(=O)NCc1ccccc1)c1ccc(Cl)cc1
|
C17H16Cl2N2O2 351.233000 |
OOWBZXBMBGHPDI-UHFFFAOYSA-N | Q8TEB1 | - |
e3_ligand
e3_ligand:68
|
Local ready
Direct docking supported
|