| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L000161
BDB000161
|
3-Oct-1-enylbenzene-1,2,4,5-tetrol
CCCCCCC=Cc1c(O)c(O)cc(O)c1O
|
C14H20O4 252.310000 |
BZSLPCVZZYXZCI-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM13160; PubChem:CID91446070
|
Local ready
Direct docking supported
|
|
E3L000162
BDB000162
|
BDBM13161
Oc1cc(O)c(O)c(C=CCCc2ccccc2)c1O
|
C16H16O4 272.300000 |
GFDNZBBKXLKELZ-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM13161
|
Local ready
Direct docking supported
|
|
E3L000163
BDB000163
|
3-(2-Phenylethenyl)benzene-1,2,4,5-tetrol
Oc1cc(O)c(O)c(C=Cc2ccccc2)c1O
|
C14H12O4 244.246000 |
WMLDJTWXYSRCJT-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM13162; PubChem:CID91593559
|
Local ready
Direct docking supported
|
|
E3L000164
BDB000164
|
3-[2-(3-Butylphenyl)ethenyl]benzene-1,2,4,5-tetrol
CCCCc1cccc(C=Cc2c(O)c(O)cc(O)c2O)c1
|
C18H20O4 300.354000 |
LQXJBYZUQZSAMT-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM13163; PubChem:CID91562998
|
Local ready
Direct docking supported
|
|
E3L000165
BDB000165
|
BDBM13164
Oc1cc(O)c(O)c(C=Cc2cccc(CCc3ccccc3)c2)c1O
|
C22H20O4 348.398000 |
SRAXBXKSVCJWDX-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM13164; PubChem:CID90983804
|
Local ready
Direct docking supported
|
|
E3L000166
BDB000166
|
BDBM13165
Cc1cccc(CCc2cccc(C=Cc3c(O)c(O)cc(O)c3O)c2)c1
|
C23H22O4 362.425000 |
UQNROPGQMRVCCD-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM13165; PubChem:CID91489334
|
Local ready
Direct docking supported
|
|
E3L000167
BDB000167
|
BDBM13167
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCc2ccccc21)C(C)(C)C
|
C25H38N4O3 442.604000 |
JUJIMRZGUBTJRV-LRGNLBRXSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM13167; PubChem:CID11166638
|
Local ready
Direct docking supported
|
|
E3L000168
BDB000168
|
BDBM13168
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2ccccc21)C(C)(C)C
|
C24H36N4O3 428.577000 |
OINZSHMABRPILQ-JOCLIGHLSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM13168; PubChem:CID11166263
|
Local ready
Direct docking supported
|
|
E3L000169
BDB000169
|
BDBM13169
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCc2ccccc21)C(C)(C)C
|
C24H36N4O3 428.577000 |
OINZSHMABRPILQ-MVJPYGJCSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM13169; PubChem:CID11750738
|
Local ready
Direct docking supported
|
|
E3L000170
BDB000170
|
BDBM13170
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1cccc2ccccc12)C(C)(C)C
|
C25H34N4O3 438.572000 |
OXDCBNXVEISFST-ORYQWCPZSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM13170; PubChem:CID11419255
|
Local ready
Direct docking supported
|
|
E3L000171
BDB000171
|
BDBM13171
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc2ccccc2c1)C(C)(C)C
|
C25H34N4O3 438.572000 |
VKAWYUDNOUEXGC-ORYQWCPZSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM13171; PubChem:CID11476147
|
Local ready
Direct docking supported
|
|
E3L000172
BDB000172
|
BDBM13172
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC1c2ccccc2-c2ccccc21)C(C)(C)C
|
C28H36N4O3 476.621000 |
BRTXZBROOQUGRQ-OZWPHOJSSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM13172; PubChem:CID11236902
|
Local ready
Direct docking supported
|
|
E3L000173
BDB000173
|
BDBM13173
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1)C(C)(C)C
|
C23H36N4O3 416.566000 |
JQLNZCZBMMUFJH-YTQUADARSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM13173; PubChem:CID11395933
|
Local ready
Direct docking supported
|
|
E3L000174
BDB000174
|
BDBM13174
CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C
|
C31H42N4O4 534.701000 |
QKPXPZYQPBWDHS-MCJAPYMPSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM13174; PubChem:CID5388929
|
Local ready
Direct docking supported
|
|
E3L000175
BDB000175
|
BDBM13177
C[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C)N(C)C
|
C26H40N4O3 456.631000 |
HIHPOLCVAWABTN-KVJIRVJXSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM13177; PubChem:CID11282499
|
Local ready
Direct docking supported
|
|
E3L000176
BDB000176
|
BDBM13178
C[C@@H](C(=O)N[C@H](C(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C)N(C)C
|
C32H44N4O4 548.728000 |
BUZJMOVADKEUOX-PQHTXYTPSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM13178; PubChem:CID11432796
|
Local ready
Direct docking supported
|
|
E3L000177
BDB000177
|
BDBM13179
C[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C1CCCCC1)N(C)C
|
C28H42N4O3 482.669000 |
PMBQJHSGBORKGP-CTZQYXLCSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM13179; PubChem:CID11329163
|
Local ready
Direct docking supported
|
|
E3L000178
BDB000178
|
BDBM13180
CN[C@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C
|
C25H38N4O3 442.604000 |
JUJIMRZGUBTJRV-RZXSNQJFSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM13180; PubChem:CID11351234
|
Local ready
Direct docking supported
|
|
E3L000179
BDB000179
|
BDBM13181
Cc1cc(C)c2ccc(NC(=O)[C@H](C)N)nc2n1
|
C13H16N4O 244.298000 |
NEVIWLQURZYMJU-VIFPVBQESA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM13181; PubChem:CID23646344
|
Local ready
Direct docking supported
|
|
E3L000180
BDB000180
|
BDBM13182
CCCCOc1ccc(-c2nnc(NC(=O)[C@H](C)N)s2)cc1
|
C15H20N4O2S 320.418000 |
CRVHHAASFSZKST-JTQLQIEISA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM13182; PubChem:CID23646345
|
Local ready
Direct docking supported
|