| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L011981
BDB011981
|
BDBM243145
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(CO)cc2)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O
|
C33H34N4O4 550.659000 |
YLMVDIJXVNORMX-DWACAAAGSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM243145
|
Local ready
Direct docking supported
|
|
E3L011982
BDB011982
|
BDBM243146
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)Cc2ccncc2)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O
|
C32H33N5O3 535.648000 |
FDPGTHGFKUIWGT-CUNXSJBXSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM243146; PubChem:CID118077132
|
Local ready
Direct docking supported
|
|
E3L011983
BDB011983
|
BDBM243147
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(S(C)(=O)=O)cc2)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O
|
C33H34N4O5S 598.725000 |
BDRQBDDODAYDGS-DWACAAAGSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM243147; PubChem:CID118077270
|
Local ready
Direct docking supported
|
|
E3L011984
BDB011984
|
BDBM243148
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CCCC(C)=O)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O
|
C31H36N4O4 528.653000 |
HYNQGODBKQUEBT-NVQXNPDNSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM243148; PubChem:CID118076927
|
Local ready
Direct docking supported
|
|
E3L011985
BDB011985
|
BDBM243149
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CCCCC(=O)OC)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O
|
C32H38N4O5 558.679000 |
XQQUXXXVYVMKQR-NVQXNPDNSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM243149; PubChem:CID118086577
|
Local ready
Direct docking supported
|
|
E3L011986
BDB011986
|
BDBM243150
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(C(C)=O)cc2)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O
|
C34H34N4O4 562.670000 |
FPRVCZFEMZUZRG-ZTOMLWHTSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM243150; PubChem:CID118077058
|
Local ready
Direct docking supported
|
|
E3L011987
BDB011987
|
BDBM243151
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O
|
C35H38N4O6 610.711000 |
FKGOLBNZPGUDLK-CUNXSJBXSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM243151; PubChem:CID118077083
|
Local ready
Direct docking supported
|
|
E3L011988
BDB011988
|
BDBM243153
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC2CCCCC2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
|
C33H39BrN4O4 635.603000 |
HOWYCYQWHUQOKN-IDISGSTGSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM243153; PubChem:CID118076592
|
Local ready
Direct docking supported
|
|
E3L011989
BDB011989
|
BDBM243154
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(C(=O)C(C)(C)C)cc2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
|
C37H39BrN4O5 699.646000 |
MUQICRLQVBPRHX-ZTOMLWHTSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM243154
|
Local ready
Direct docking supported
|
|
E3L011990
BDB011990
|
BDBM243155
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(C(O)(O)C(F)(F)F)cc2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
|
C34H32BrF3N4O6 729.550000 |
IWJPRIOMVNDBCD-SIBVEZHUSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM243155
|
Local ready
Direct docking supported
|
|
E3L011991
BDB011991
|
BDBM243156
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2cccc(C(C)=O)c2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
|
C34H33BrN4O5 657.565000 |
IVEUPPZQAPDURZ-MMTVBGGISA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM243156; PubChem:CID118076580
|
Local ready
Direct docking supported
|
|
E3L011992
BDB011992
|
BDBM243158
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CCC[N+](=O)[O-])c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
|
C29H32BrN5O6 626.508000 |
QJQMISPLQCHSJK-MBSDFSHPSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM243158; PubChem:CID118076613
|
Local ready
Direct docking supported
|
|
E3L011993
BDB011993
|
BDBM243159
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)Cc2ccc(C(C)=O)cc2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
|
C35H35BrN4O5 671.592000 |
XMPOAIGUDMFLDI-LGGPFLRQSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM243159; PubChem:CID118076843
|
Local ready
Direct docking supported
|
|
E3L011994
BDB011994
|
BDBM243161
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC23CC4CC(CC(C4)C2)C3)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
|
C37H43BrN4O4 687.679000 |
VJWPAPXXAYSAMG-CCDDUJHJSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM243161; PubChem:CID118076947
|
Local ready
Direct docking supported
|
|
E3L011995
BDB011995
|
BDBM243162
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)c2ccccc2N(Cc2c(OC)ccc3cc(C(=O)OC)ccc23)C1=O
|
C45H45N5O8 783.882000 |
GWKUSTCKPNGPPM-ZSQPVGNWSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM243162
|
Local ready
Direct docking supported
|
|
E3L011996
BDB011996
|
BDBM243163
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(C(C)=O)cc2)c2ccccc2N(Cc2c(OC(F)F)ccc3ccccc23)C1=O
|
C34H32F2N4O5 614.649000 |
KWNFZHZGDAFIFB-DCFHFQCYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM243163; PubChem:CID118076623
|
Local ready
Direct docking supported
|
|
E3L011997
BDB011997
|
BDBM243164
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(C(C)=O)cc2)c2ccccc2N(Cc2cc(=O)oc3cc(OC)ccc23)C1=O
|
C33H32N4O7 596.640000 |
OKXQCWANIDVLSR-SIBVEZHUSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM243164; PubChem:CID118076915
|
Local ready
Direct docking supported
|
|
E3L011998
BDB011998
|
BDBM243165
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(C(C)=O)cc2)c2ccccc2N(Cc2noc3ccccc23)C1=O
|
C30H29N5O5 539.592000 |
CWPDYSFTIMRFCO-UUOWRZLLSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM243165; PubChem:CID118077234
|
Local ready
Direct docking supported
|
|
E3L011999
BDB011999
|
BDBM243166
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(C(C)=O)cc2)c2ccccc2N(Cc2noc3cc(Br)ccc23)C1=O
|
C30H28BrN5O5 618.488000 |
VVIQSBJMQJDHMV-XDHUDOTRSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM243166; PubChem:CID118077208
|
Local ready
Direct docking supported
|
|
E3L012000
BDB012000
|
BDBM243167
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(C(C)=O)cc2)c2ccccc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O
|
C34H33BrN4O5 657.565000 |
FCBDCRIHHVUGDE-MMTVBGGISA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM243167; PubChem:CID118077140
|
Local ready
Direct docking supported
|