| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L067238
LIG001808
|
dCK1δΌͺ-2
O=C1CCC(N2Cc3cc(-c4ccn5nc(CN6CCOCC6)c(Cl)c5n4)ccc3C2=O)C(=O)N1
|
C24H23ClN6O4 494.939000 |
XIQNTJXNMQHUHV-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1171
|
Local ready
Direct docking supported
|
|
E3L067239
LIG001809
|
11
Cn1nnc(-c2ccc3c(c2)[nH]c2nc(Cc4ccccc4)nc(NCCCN4CCCC4)c23)n1
|
C26H29N9 467.581000 |
XIQSCRVUMBIFIQ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1419
|
Local ready
Direct docking supported
|
|
E3L067240
LIG001810
|
8
CNC(=O)COc1cc2cc(Nc3nc(N4CCC(Cl)CC4)ncc3Cl)ccc2n(C)c1=O
|
C22H24Cl2N6O3 491.379000 |
XJEHQOYXLMUBLC-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1292
|
Local ready
Direct docking supported
|
|
E3L067241
LIG001811
|
LIG001811
COc1ccc2c(c1)CCCN2C(=O)CCl
|
C12H14ClNO2 239.702000 |
XJPUWRWIBSSPSL-UHFFFAOYSA-N | Q9NXF7 | - |
e3_ligand
e3_ligand:41
|
Local ready
Direct docking supported
|
|
E3L067242
LIG001812
|
7-NH2-EM12
Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2
|
C13H13N3O3 259.265000 |
XKAYAFBLGLCWSY-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, MolGlueDB
BindingDB:BDBM50614102; MolGlueDB:MGDB781
|
Local ready
Direct docking supported
|
|
E3L067243
LIG001813
|
Danusertib
CO[C@@H](C(=O)N1Cc2[nH]nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1)c1ccccc1
|
C26H30N6O3 474.565000 |
XKFTZKGMDDZMJI-HSZRJFAPSA-N | O14965 | Aurora kinase A |
BindingDB, MolGlueDB
BindingDB:BDBM12985; BindingDB:BDBM209858; MolGlueDB:MGDB1626
Related BindingDB:BDBM50466807; Related BindingDB:BDBM12987
|
Local ready
Direct docking supported
|
|
E3L067244
LIG001814
|
65
COc1ccc(/C=C/C(=O)Nc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)cc1
|
C23H21N3O5 419.437000 |
XKHJZGRFJRADNW-ONNFQVAWSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB642
|
Local ready
Direct docking supported
|
|
E3L067245
LIG001815
|
9
O=C1CCC(N2Cc3cc(CNC(=O)Nc4ccccc4Cl)ccc3C2=O)C(=O)N1
|
C21H19ClN4O4 426.860000 |
XLLJOANDXFNPPG-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1183
|
Local ready
Direct docking supported
|
|
E3L067246
LIG001816
|
LIG001816
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3c2cc(Cc2ccc(F)cc2)c(=O)n3C)[C@@H](CN2[C@H](C)COC[C@H]2C)CN1
|
C31H44FN5O3 553.723000 |
XLPLPVLYDHZSGR-PIXQIBFHSA-N | P98170, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB, e3_ligand
BindingDB:BDBM50450047; e3_ligand:72
|
Local ready
Direct docking supported
|
|
E3L067247
LIG001817
|
LIG001817
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3c2cc(Cc2ccc(F)cc2)c(=O)n3C)[C@@H](CN2[C@H](C)COC[C@H]2C)CN1
|
C31H44FN5O3 553.723000 |
XLPLPVLYDHZSGR-PIXQIBFHSA-N | P98170 | - |
e3_ligand
e3_ligand:72
|
Local ready
Direct docking supported
|
|
E3L067248
LIG001818
|
MG-278
O=C1CCC(N2Cc3c(CCCOCCNC(=O)[C@@H]4NC5(CCCCC5)[C@@]5(C(=O)Nc6cc(Cl)ccc65)[C@H]4c4cccc(Cl)c4F)cccc3C2=O)C(=O)N1
|
C41H42Cl2FN5O6 790.720000 |
XMJOGAYFUMUULD-OYGJEQPESA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1124
|
Local ready
Direct docking supported
|
|
E3L067249
LIG001819
|
7
CC[C@H](CO)Nc1nc(NCc2ccc(-c3ccc(C)cn3)cc2)c2ncn(C(C)C)c2n1
|
C25H31N7O 445.571000 |
XMNBYCAYIMSKFO-HXUWFJFHSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB216
|
Local ready
Direct docking supported
|
|
E3L067250
LIG001820
|
4-OH-Thal
O=C1CCC(N2C(=O)c3cccc(O)c3C2=O)C(=O)N1
|
C13H10N2O5 274.232000 |
XMPJICVFSDYOEG-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1, Protein cereblon |
BindingDB, MolGlueDB
BindingDB:BDBM511638; MolGlueDB:MGDB1040
|
Local ready
Direct docking supported
|
|
E3L067252
LIG001822
|
LC-02-148
O=C1CC[C@H](N2Cc3cc(-c4cnn5ccc(NCCN6CCOCC6)nc45)ccc3C2=O)C(=O)N1
|
C25H27N7O4 489.536000 |
XMQLJWPGJYURGC-FQEVSTJZSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB924
|
Local ready
Direct docking supported
|
|
E3L067253
LIG001823
|
dCDK-PcN
CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(CCCCCCC(=O)N5CCC[C@H]5C(=O)N[C@@H]5CC(=O)NC5=O)CC4)cn3)nc2n(C2CCCC2)c1=O
|
C40H52N10O6 768.920000 |
XNBPWGHLZPHXLY-JSOSNVBQSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB44
|
Local ready
Direct docking supported
|
|
E3L067254
LIG001824
|
36
OCCC1CCCCN1c1cc(NCc2ccc(-c3ccccn3)cc2)n2ncc(Br)c2n1
|
C25H27BrN6O 507.436000 |
XOKCZFGJXVHGKO-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB316
|
Local ready
Direct docking supported
|
|
E3L067255
LIG001825
|
8
Nc1cccc(C(=O)NC2CCC(=O)NC2=O)c1
|
C12H13N3O3 247.254000 |
XOLLDBOOXRTMRB-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, MolGlueDB
BindingDB:BDBM50630590; MolGlueDB:MGDB813
|
Local ready
Direct docking supported
|
|
E3L067257
LIG001827
|
9
O=C1CCC(N2Cc3cc(NC(=O)C4CCCCC4)ccc3C2=O)C(=O)N1
|
C20H23N3O4 369.421000 |
XOQKZQJWZWHWDF-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1075
|
Local ready
Direct docking supported
|
|
E3L067258
LIG001828
|
MMH2-NR
CCS(=O)(=O)Nc1ccc(C2=N[C@@H](CC(=O)OC(C)(C)C)c3nnc(C)n3-c3sc(C)c(C)c32)cc1
|
C25H31N5O4S2 529.688000 |
XORZMCOMRGZMHU-IBGZPJMESA-N | - | - |
MolGlueDB
MolGlueDB:MGDB504
|
Local ready
Direct docking supported
|
|
E3L067259
LIG001829
|
SJ46418
COCCOc1cccc2ccc(-c3nc(CC(=O)NCC(=O)O)cs3)cc12
|
C20H20N2O5S 400.456000 |
XOTNABKQGYEPBQ-UHFFFAOYSA-N | Q9Y2U9 | - |
e3_ligand
e3_ligand:133
|
Local ready
Direct docking supported
|