| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L066614
LIG001184
|
DS71
CN1CCN(c2nc(NCc3nc4c(F)c(F)ccc4[nH]3)n3ncc(Br)c3n2)CC1
|
C18H18BrF2N9 478.305000 |
PPZYKPKJVAUJRL-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1616
|
Local ready
Direct docking supported
|
|
E3L066615
LIG001185
|
DS14
CC[C@H](CO)Nc1nc(NCc2ccc3cc(O)ccc3c2)c2ncn(C(C)C)c2n1
|
C23H28N6O2 420.517000 |
PQLWBMQDMLTSGZ-GOSISDBHSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1619
|
Local ready
Direct docking supported
|
|
E3L066616
LIG001186
|
50
O=C1CCC(N2C(=O)c3cccc(-c4ccccc4)c3C2=O)C(=O)N1
|
C19H14N2O4 334.331000 |
PQPJLCMKIFBTKI-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1020
|
Local ready
Direct docking supported
|
|
E3L066617
LIG001187
|
6f
O=C1CCC(N2Cc3c(C#CCOCCc4ccccc4)cccc3C2=O)C(=O)N1
|
C24H22N2O4 402.450000 |
PREAWIXCFGZQPR-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1369
|
Local ready
Direct docking supported
|
|
E3L066618
LIG001188
|
NK7-288
CN[C@H]1CCCC[C@@H]1N(C)c1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O
|
C21H28N4O3 384.480000 |
PRGCLFLBCUVASG-UBFHEZILSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB529
|
Local ready
Direct docking supported
|
|
E3L066619
LIG001189
|
21
CN(CC1CCC(n2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(C(C)(C)O)cc3n2)CC1)[C@H]1CCC2(CC1)C[C@H](Nc1cccc3c1C(=O)N(C1CCC(=O)NC1=O)C3=O)C2
|
C47H53F3N8O6 882.985000 |
PRYXVIJFTJCBPJ-WILPXKMRSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB518
Related BindingDB:BDBM50639846
|
Local ready
Direct docking supported
|
|
E3L066621
LIG001191
|
LYG-412
Cc1ccc2c(c1)C=C(C(=O)NCc1ccc3c(c1)CN(C1CCC(=O)NC1=O)C3=O)CO2
|
C25H23N3O5 445.475000 |
PSTSHHYVYNOEQN-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1355
|
Local ready
Direct docking supported
|
|
E3L066622
LIG001192
|
9t
COc1ccc(-c2ccc3[nH]c(=O)c4nnn(-c5ccc(N6CCN(C(=O)/C=C/C(=O)c7ccccc7F)CC6)c(C(F)(F)F)c5)c4c3c2)cn1
|
C36H27F4N7O4 697.649000 |
PTFVFQSMVPIRBC-ACCUITESSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB662
|
Local ready
Direct docking supported
|
|
E3L066623
LIG001193
|
LIG001193
CNC(=O)C[C@@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)C1(F)CC1)C(C)(C)C)c1ccc(-c2scnc2C)cc1
|
C29H38FN5O5S 587.718000 |
PTPPMFQIIPBSRV-IUBSTNSRSA-N | P40337 | von Hippel-Lindau disease tumor suppressor |
BindingDB, e3_ligand
BindingDB:BDBM50615682; e3_ligand:27
|
Local ready
Direct docking supported
|
|
E3L066624
LIG001194
|
LIG001194
CNC(=O)C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)C1(F)CC1)C(C)(C)C)c1ccc(-c2scnc2C)cc1
|
C29H38FN5O5S 587.718000 |
PTPPMFQIIPBSRV-MDAIXWLXSA-N | P40337 | von Hippel-Lindau disease tumor suppressor |
BindingDB, e3_ligand
BindingDB:BDBM50615680; e3_ligand:25
|
Local ready
Direct docking supported
|
|
E3L066625
LIG001195
|
LIG001195
CNC(=O)C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](NC(=O)C1(F)CC1)C(C)(C)C)c1ccc(-c2scnc2C)cc1
|
C29H38FN5O5S 587.718000 |
PTPPMFQIIPBSRV-XBJMDHIQSA-N | P40337 | von Hippel-Lindau disease tumor suppressor |
BindingDB, e3_ligand
BindingDB:BDBM50615683; e3_ligand:28
|
Local ready
Direct docking supported
|
|
E3L066626
LIG001196
|
LIG001196
CC(C)[C@H](N)C(=O)N[C@H]1CC(=O)NC1=O
|
C9H15N3O3 213.237000 |
PUADYXVYUDWYJO-FSPLSTOPSA-N | Q96SW2 | - |
e3_ligand
e3_ligand:125
|
Local ready
Direct docking supported
|
|
E3L066627
LIG001197
|
19
CC[C@H](CO)Nc1nc(NCc2ccc(-c3ncccc3C)cc2)c2ncn(C(C)C)c2n1
|
C25H31N7O 445.571000 |
PUDZRMMUTXCQLZ-HXUWFJFHSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB193
|
Local ready
Direct docking supported
|
|
E3L066628
LIG001198
|
DS27
CC[C@H](CO)Nc1nc(NCCCc2cccnc2)c2ncn(C(C)C)c2n1
|
C20H29N7O 383.500000 |
PUNALVJWOBCWPN-MRXNPFEDSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1577
|
Local ready
Direct docking supported
|
|
E3L066629
LIG001199
|
5
NS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc3cc[nH]c23)cc1
|
C14H13N3O4S2 351.409000 |
PUPBEGMQWLQKFS-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1402
|
Local ready
Direct docking supported
|
|
E3L066630
LIG001200
|
7c
COc1cc2onc(C)c2cc1NS(=O)(=O)c1cc(Br)ccc1OCC(=O)NCCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
|
C34H33BrN6O10S 797.641000 |
PUSAKYPAZSCEHY-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB731
|
Local ready
Direct docking supported
|
|
E3L066631
LIG001201
|
13
CC(C)c1n[nH]c2c(NCc3ccc(-n4cccn4)cc3)nc(SCC(C)(C)N)nc12
|
C22H28N8S 436.589000 |
PVJRMFPSELYQSP-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB141
|
Local ready
Direct docking supported
|
|
E3L066632
LIG001202
|
15
CC(C)c1n[nH]c2c(NCc3ccc(-n4cccn4)cc3)nc(SCC(N)CN)nc12
|
C21H27N9S 437.577000 |
PVJWNCLAEYAMJC-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB143
|
Local ready
Direct docking supported
|
|
E3L066633
LIG001203
|
CC-90009
O=C1CCC(N2Cc3cc(CNC(=O)C(F)(F)c4ccc(Cl)cc4)ccc3C2=O)C(=O)N1
|
C22H18ClF2N3O4 461.852000 |
PWBHUSLMHZLGRN-UHFFFAOYSA-N | Q96SW2 | DNA-binding protein Ikaros |
BindingDB, MolGlueDB
BindingDB:BDBM50557457; MolGlueDB:MGDB1179
|
Local ready
Direct docking supported
|
|
E3L066637
LIG001207
|
RR-11163
O=C1CC[C@H](N2Cc3c(ccc4c3OC[C@@H]3CNCCN43)C2=O)C(=O)N1
|
C18H20N4O4 356.382000 |
PWSKIUZMQNAFLN-HZMBPMFUSA-N | Q96SW2 | - |
e3_ligand
e3_ligand:136
|
Local ready
Direct docking supported
|