| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L011941
BDB011941
|
BDBM243102
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CS(C)(=O)=O)c2ccc(C#N)cc2N(Cc2c(OC)ccc3ccccc23)C1=O
|
C29H31N5O6S 577.663000 |
CFDGAKTVRXQYIB-MBSDFSHPSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM243102
|
Local ready
Direct docking supported
|
|
E3L011942
BDB011942
|
BDBM243103
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O
|
C28H31BrN4O6S 631.549000 |
FGIFICWCAGQNOA-JTSKRJEESA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM243103
|
Local ready
Direct docking supported
|
|
E3L011943
BDB011943
|
BDBM243104
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CS(C)(=O)=O)c2ccc(C#N)cc2N(Cc2c(C)ccc3ccccc23)C1=O
|
C29H31N5O5S 561.664000 |
GOQZTJDTWHPUJD-CYFREDJKSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM243104
|
Local ready
Direct docking supported
|
|
E3L011944
BDB011944
|
BDBM243105
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2c(OC)ccc3ccccc23)C1=O
|
C28H32N4O6S 552.653000 |
OGXPHJKZQFVFOP-AVRDEDQJSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM243105
|
Local ready
Direct docking supported
|
|
E3L011945
BDB011945
|
BDBM243106
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CCOC)c2cc(C#N)ccc2N(Cc2nn(-c3ccccc3C#N)c3ccccc23)C1=O
|
C33H32N8O4 604.671000 |
NWMLCUDSFNQPNC-LVXARBLLSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM243106
|
Local ready
Direct docking supported
|
|
E3L011946
BDB011946
|
BDBM243107
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2c(OC(F)F)ccc3ccccc23)C1=O
|
C28H30F2N4O6S 588.633000 |
DVMSAXASHGXOKB-UWJYYQICSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM243107
|
Local ready
Direct docking supported
|
|
E3L011947
BDB011947
|
BDBM243108
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccncc2)c2cc(C#N)ccc2N(Cc2nn(-c3ccccc3C#N)c3ccccc23)C1=O
|
C35H29N9O3 623.677000 |
QZIVNKNQWYOBJD-DWACAAAGSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM243108
|
Local ready
Direct docking supported
|
|
E3L011948
BDB011948
|
BDBM243109
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(C#N)cc2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
|
C33H30BrN5O4 640.538000 |
QIVSDYYFNPWSEF-DCFHFQCYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM243109
|
Local ready
Direct docking supported
|
|
E3L011949
BDB011949
|
BDBM243110
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CS(C)(=O)=O)c2ccc(C#N)cc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O
|
C29H30BrN5O6S 656.559000 |
JUAPCEVTUXIEDE-SBUREZEXSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM243110
|
Local ready
Direct docking supported
|
|
E3L011950
BDB011950
|
BDBM243112
CN[C@@H](C)C(=O)N[C@H]1CN(C(C)=O)c2cc(C#N)ccc2N(Cc2c(C3CC3)ccc3c(C#N)cccc23)C1=O
|
C31H30N6O3 534.620000 |
SRWSQAJBSMBUEO-MYUZEXMDSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM243112
|
Local ready
Direct docking supported
|
|
E3L011951
BDB011951
|
BDBM243113
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC2CCOCC2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
|
C32H37BrN4O5 637.575000 |
AMDHWKSCEMDFGR-FNZWTVRRSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM243113
|
Local ready
Direct docking supported
|
|
E3L011952
BDB011952
|
BDBM243114
CN[C@@H](C)C(=O)N[C@H]1CN(C(C)=O)c2cc(C(F)(F)F)ccc2N(Cc2nn(-c3ccccc3C#N)c3ccccc23)C1=O
|
C31H28F3N7O3 603.605000 |
UUYJEDVPKLBWTH-UUOWRZLLSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM243114
|
Local ready
Direct docking supported
|
|
E3L011953
BDB011953
|
BDBM243115
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC2CCOCC2)c2ccccc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O
|
C32H37BrN4O5 637.575000 |
DZPAEBGAFMUCAU-FNZWTVRRSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM243115
|
Local ready
Direct docking supported
|
|
E3L011954
BDB011954
|
BDBM243116
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(N)cc2)c2ccccc2N(Cc2c(OCCF)ccc3ccccc23)C1=O
|
C33H34FN5O4 583.664000 |
FTBUPFGGJCLZQI-IDISGSTGSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM243116; PubChem:CID122531507
|
Local ready
Direct docking supported
|
|
E3L011955
BDB011955
|
BDBM243117
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)Cc2cccnc2)c2ccccc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O
|
C32H32BrN5O4 630.543000 |
MGGITSBKIMQADG-FNZWTVRRSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM243117
|
Local ready
Direct docking supported
|
|
E3L011956
BDB011956
|
BDBM243118
CN[C@@H](C)C(=O)N[C@H]1CN(C(C)=O)c2cc(C#N)ccc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O
|
C28H28BrN5O4 578.467000 |
UCZNEGUUTPQZCS-HJPURHCSSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM243118; PubChem:CID118077202
|
Local ready
Direct docking supported
|
|
E3L011957
BDB011957
|
BDBM243119
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccccn2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
|
C31H30BrN5O4 616.516000 |
TWYQHECIANXYGO-DFBJGRDBSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM243119; PubChem:CID118076554
|
Local ready
Direct docking supported
|
|
E3L011958
BDB011958
|
BDBM243120
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)C2CCOCC2)c2cc(C#N)ccc2N(Cc2c(C3CC3)cnc3ccccc23)C1=O
|
C33H36N6O4 580.689000 |
QUKRKMDFJUXCAY-MMTVBGGISA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM243120
|
Local ready
Direct docking supported
|
|
E3L011959
BDB011959
|
BDBM243122
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccncc2)c2cc(C#N)ccc2N(Cc2c(C3CC3)cnc3ccccc23)C1=O
|
C33H31N7O3 573.657000 |
LKTPSSFKOOCJLH-MMTVBGGISA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM243122; PubChem:CID118076601
|
Local ready
Direct docking supported
|
|
E3L011960
BDB011960
|
BDBM243124
CN[C@@H](C)C(=O)N[C@H]1CN(C(C)=O)c2cc(C#N)ccc2N(Cc2c(OC)ccc3c(C#N)cccc23)C1=O
|
C29H28N6O4 524.581000 |
JRTOXIMJENDGBX-XDHUDOTRSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM243124; PubChem:CID118076890
|
Local ready
Direct docking supported
|