| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L067431
LIG002001
|
Z5000147880
O=C1CCC(N2Cc3cc(NS(=O)(=O)c4ccc(-n5ccnn5)cc4)ccc3C2=O)C(=O)N1
|
C21H18N6O5S 466.479000 |
ZZFLTEWPQYBPQI-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1233
|
Local ready
Direct docking supported
|
|
E3L067432
LIG002002
|
WX3
CC[C@H](CO)Nc1nc(NCc2ccc(-c3ccccn3)c(=O)[nH]2)c2ncn(C(C)C)c2n1
|
C23H28N8O2 448.531000 |
ZZMGLCCXIBNSGN-OAHLLOKOSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1597
|
Local ready
Direct docking supported
|
|
E3L067433
LIG002003
|
9a
O=C1CCC(N2Cc3c(cccc3-c3ccccc3)C2=O)C(=O)N1
|
C19H16N2O3 320.348000 |
ZZWHJAPFYQWNIH-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1089
|
Local ready
Direct docking supported
|
|
E3L067435
LIG002005
|
TRI-611
O=C1CC[C@H](N2C(=O)Oc3ccc(Cc4onc(n4)c5ccccc5)cc23)C(=O)N1
|
C21H16N4O5 404.376000 |
XGNIJIQFXVUHJG-AWEZNQCLSA-N | Q96SW2 | ALK |
literature, PDB
literature:TRI-611; PDB:9XZG:A1CRM
|
Local ready
Direct docking supported
|
|
E3L067436
LIG002006
|
PLX-4545
O=C1CCC(N2Cc3cc(OC4CCCCC4N4CC(c5ccccc5)C4)ccc3C2=O)C(=O)N1
|
C28H31N3O4 473.573000 |
DQYZQRGRHXEYPT-SDHOMARFSA-N | Q96SW2 | IKZF2 |
other, PubChem
other:GTPL13574; PubChem:CID166469167
|
Local ready
Direct docking supported
|
|
E3L067437
LIG002007
|
VVD-065
CCC(=O)N1CCOCC1c1cc(Cl)cc(-c2ncnc(N)n2)c1
|
C16H18ClN5O2 347.806000 |
HFRULTGTUQPJLO-ZDUSSCGKSA-N | Q14145 | NRF2 |
literature, PDB
literature:VVD-065; PDB:9DU7:A1BCT
|
Local ready
Direct docking supported
|
|
E3L067438
LIG002008
|
NX-5948
CN1CCN([C@@H]2CCCN(c3cnc(C(N)=O)c(Nc4ccc(C5CCN(CC6CCN(c7ccc(C(=O)N[C@H]8CCC(=O)NC8=O)nc7)CC6)CC5)cc4)n3)C2)C1=O
|
C42H54N12O5 806.973000 |
HPTPDBYCFHFWJG-CWTKIQHKSA-N | Q96SW2 | BTK |
PubChem
PubChem:CID156464216
|
Local ready
Direct docking supported
|
|
E3L067439
LIG002009
|
ARV-393
CNC(=O)COc1cc2cc(Nc3nc(N4CCC(OC5CC(N6CCC(c7ccc8c(c7F)CN(C7CCC(=O)NC7=O)C8=O)CC6)C5)CC4)ncc3Cl)ccc2n(C(C)C)c1=O
|
C46H53ClFN9O7 898.437000 |
ZOGOEUHUEFKKTD-UHFFFAOYSA-N | Q96SW2 | BCL6 |
PubChem
PubChem:CID166077922
|
Local ready
Direct docking supported
|