| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L067193
LIG001763
|
L321
Cc1ccc(OCC(=O)OC(C)(C)C)c(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)c1
|
C23H22F3NO4 433.426000 |
WSXCHSIKNSAQOC-YVLHZVERSA-N | Q8TEB1 | - |
e3_ligand
e3_ligand:134
|
Local ready
Direct docking supported
|
|
E3L067194
LIG001764
|
ZZ7-16-018
CC(C)S(=O)(=O)c1ccccc1Nc1nc(N[C@@H]2CCN(C(=O)c3ccccc3)C2)ncc1Cl
|
C24H26ClN5O3S 500.024000 |
WSYFASQFQKXJIM-GOSISDBHSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB176
|
Local ready
Direct docking supported
|
|
E3L067195
LIG001765
|
ZZ7-16-019
CC(C)S(=O)(=O)c1ccccc1Nc1nc(N[C@H]2CCN(C(=O)c3ccccc3)C2)ncc1Cl
|
C24H26ClN5O3S 500.024000 |
WSYFASQFQKXJIM-SFHVURJKSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB178
|
Local ready
Direct docking supported
|
|
E3L067196
LIG001766
|
QXG-6441
O=C1CCC(N2Cc3cc(CNC(=O)c4cn5ccccc5n4)ccc3C2=O)C(=O)N1
|
C22H19N5O4 417.425000 |
WTARIIKBLLAHEL-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1056
|
Local ready
Direct docking supported
|
|
E3L067198
LIG001768
|
Z5112109183
Cn1nc(C2CCC(=O)NC2=O)c2ccc(NC(=O)NCC3=CCCCC3)cc21
|
C21H25N5O3 395.463000 |
WTOUPVNTUWZMNQ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB586
|
Local ready
Direct docking supported
|
|
E3L067199
LIG001769
|
6
N#Cc1ccc2c(c1)[nH]c1nc(Cc3ccccc3)nc(NCCCN3CCCCC3)c12
|
C26H28N6 424.552000 |
WTTASVYTYJJGKD-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1414
|
Local ready
Direct docking supported
|
|
E3L067200
LIG001770
|
32
Cn1nc(N2CCC(=O)NC2=O)c2ccc(N)cc21
|
C12H13N5O2 259.269000 |
WUIVJXLPFFXGRW-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB591
|
Local ready
Direct docking supported
|
|
E3L067201
LIG001771
|
AN5701
Cc1nc2c(C)cccc2cc1C(=O)N/N=C/c1ccccc1Cl
|
C19H16ClN3O 337.810000 |
WUNCJECIDUJETI-SRZZPIQSSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB405
|
Local ready
Direct docking supported
|
|
E3L067202
LIG001772
|
QXG-6433
O=C1CCC(N2Cc3c(NC(=O)c4cnc5ccccc5c4)cccc3C2=O)C(=O)N1
|
C23H18N4O4 414.421000 |
WUNKLUDRHNMFQZ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1128
|
Local ready
Direct docking supported
|
|
E3L067204
LIG001774
|
9m
Cc1c(Cl)cc(NC(=O)CCc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)cc1N1CCC(N2CCOCC2)CC1
|
C32H38ClN5O5 608.139000 |
WUOLHCCYLUTWFV-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB293
|
Local ready
Direct docking supported
|
|
E3L067205
LIG001775
|
pelitinib
CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C
|
C24H23ClFN5O2 467.932000 |
WVUNYSQLFKLYNI-AATRIKPKSA-N | O14965, O95835 | Serine/threonine-protein kinase LATS1, Aurora kinase A |
BindingDB, MolGlueDB
BindingDB:BDBM31090; MolGlueDB:MGDB503
|
Local ready
Direct docking supported
|
|
E3L067206
LIG001776
|
18
Nc1n[nH]c2c(CN3CC4COCC(C4)C3)cc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)nc12
|
C27H29N7O4 515.574000 |
WWOHNLWDCHDZDG-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, MolGlueDB
BindingDB:BDBM755970; MolGlueDB:MGDB1509
|
Local ready
Direct docking supported
|
|
E3L067207
LIG001777
|
Tasisulam
O=C(NS(=O)(=O)c1ccc(Br)s1)c1ccc(Cl)cc1Cl
|
C11H6BrCl2NO3S2 415.117000 |
WWONFUQGBVOKOF-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB884
|
Local ready
Direct docking supported
|
|
E3L067211
LIG001781
|
LC-04-103
O=C1CC[C@H](N2Cc3cc(-c4cnc5n4CCN(Cc4ccccc4-c4ccccc4OC(F)(F)F)C5)ccc3C2=O)C(=O)N1
|
C33H28F3N5O4 615.612000 |
WWSUFMCAPWGZSS-SANMLTNESA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1275
|
Local ready
Direct docking supported
|
|
E3L067212
LIG001782
|
27a
Cn1c(=O)n(CCC(C)(C)O)c2cc(Nc3nc(N4CCCC(C(F)(F)F)C4)ncc3Cl)ccc21
|
C23H28ClF3N6O2 512.964000 |
WXBNLEGNJQNAOI-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, MolGlueDB
BindingDB:BDBM50511643; MolGlueDB:MGDB550
|
Local ready
Direct docking supported
|
|
E3L067213
LIG001783
|
6
CC(O)CSc1nc(NCc2ccc(-n3cccn3)cc2)c2[nH]nc(C(C)C)c2n1
|
C21H25N7OS 423.546000 |
WXFNPYZGKHGERJ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB186
|
Local ready
Direct docking supported
|
|
E3L067214
LIG001784
|
iDeg-1
Cc1ccc(NC(=O)OC[C@]23CN(S(=O)(=O)c4ccc(C(C)(C)C)cc4)C[C@H]2C[C@H]2C[C@@H]3C2(C)C)cc1
|
C30H40N2O4S 524.727000 |
WZIVXKXJEWHYHH-RCLWPAGBSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB356
|
Local ready
Direct docking supported
|
|
E3L067215
LIG001785
|
22
O=C1CCC(N2Cc3cc(Nc4nc5ccccc5o4)ccc3C2=O)C(=O)N1
|
C20H16N4O4 376.372000 |
WZMBCEZSOXUGFF-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1079
|
Local ready
Direct docking supported
|
|
E3L067216
LIG001786
|
GDC-0152
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1)C1CCCCC1
|
C25H34N6O3S 498.653000 |
WZRFLSDVFPIXOV-LRQRDZAKSA-N | P98170, Q13489, Q13490, Q96CA5 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 7 |
BindingDB, e3_ligand
BindingDB:BDBM50388975; e3_ligand:56
|
Local ready
Direct docking supported
|
|
E3L067217
LIG001787
|
GDC-0152
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1)C1CCCCC1
|
C25H34N6O3S 498.653000 |
WZRFLSDVFPIXOV-LRQRDZAKSA-N | Q13489 | - |
e3_ligand
e3_ligand:56
|
Local ready
Direct docking supported
|