| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L011521
BDB011521
|
BDBM237639
CN[C@@H](C)C(=O)N[C@H]1COc2c(C(=O)NCc3ccc(C(=O)OC)cc3)cccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
|
C35H35BrN4O7 703.590000 |
BLONQRBSZCSXHN-MMTVBGGISA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM237639
|
Local ready
Direct docking supported
|
|
E3L011522
BDB011522
|
BDBM237640
CN[C@@H](C)C(=O)N[C@H]1COc2c(C(=O)O)cccc2N(Cc2c(OC)ccc3cc(C(=O)O)ccc23)C1=O
|
C27H27N3O8 521.526000 |
UBDIHOBHGQIEPP-XOBRGWDASA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM237640; PubChem:CID73054855
|
Local ready
Direct docking supported
|
|
E3L011523
BDB011523
|
BDBM237641
CN[C@@H](C)C(=O)N[C@H]1COc2c(C(=O)N(C)CCO)cccc2N(Cc2c(OC)ccc3cc(C(=O)O)ccc23)C1=O
|
C30H34N4O8 578.622000 |
KCOWEPRSFVLMKN-SBUREZEXSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM237641
|
Local ready
Direct docking supported
|
|
E3L011524
BDB011524
|
BDBM237642
CN[C@@H](C)C(=O)N[C@H]1COc2c(C(=O)O)cccc2N(Cc2ccc(Br)c3ccccc23)C1=O
|
C25H24BrN3O5 526.387000 |
SUBSTMCCUIICSI-XOBRGWDASA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM237642; PubChem:CID73055134
|
Local ready
Direct docking supported
|
|
E3L011525
BDB011525
|
BDBM237643
CN[C@@H](C)C(=O)N[C@H]1COc2c(C(=O)N3CCN(CCO)CC3)cccc2N(Cc2ccc(Br)c3ccccc23)C1=O
|
C31H36BrN5O5 638.563000 |
VLWUWJOMYZATBO-FNZWTVRRSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM237643; PubChem:CID73055135
|
Local ready
Direct docking supported
|
|
E3L011526
BDB011526
|
BDBM237644
CN[C@@H](C)C(=O)N[C@H]1COc2c(C(=O)N3CCN(CCCO)CC3)cccc2N(Cc2ccc(Br)c3ccccc23)C1=O
|
C32H38BrN5O5 652.590000 |
FTLFWECWQDBFNU-IDISGSTGSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM237644; PubChem:CID73055136
|
Local ready
Direct docking supported
|
|
E3L011527
BDB011527
|
BDBM237645
CN[C@@H](C)C(=O)N[C@H]1COc2ccccc2N(Cc2c(Cl)n(-c3ccccc3C#N)c3ccccc23)C1=O
|
C29H26ClN5O3 528.012000 |
IHVOEWKFQHMHHV-AVRDEDQJSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM237645; PubChem:CID73055137
|
Local ready
Direct docking supported
|
|
E3L011528
BDB011528
|
BDBM237646
CN[C@@H](C)C(=O)N[C@H]1COc2ccccc2N(Cc2cccc3c2ccn3-c2ccccc2C#N)C1=O
|
C29H27N5O3 493.567000 |
XVSPJSXQUDWMJL-CVDCTZTESA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM237646; PubChem:CID73055138
|
Local ready
Direct docking supported
|
|
E3L011529
BDB011529
|
BDBM237647
CN[C@@H](C)C(=O)N[C@H]1COc2ccccc2N(Cc2c(Cl)n(S(=O)(=O)c3ccccc3)c3ccccc23)C1=O
|
C28H27ClN4O5S 567.067000 |
OWLACGCWCXSYAA-AVRDEDQJSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM237647; PubChem:CID73055427
|
Local ready
Direct docking supported
|
|
E3L011530
BDB011530
|
BDBM237648
CN[C@@H](C)C(=O)N[C@H]1COc2ccccc2N(Cc2cccc3c2CN(S(C)(=O)=O)C3)C1=O
|
C23H28N4O5S 472.567000 |
IVBUOINKIBZNHL-KXBFYZLASA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM237648; PubChem:CID90060610
|
Local ready
Direct docking supported
|
|
E3L011531
BDB011531
|
BDBM237649
CN[C@@H](C)C(=O)N[C@H]1COc2ccccc2N(Cc2cc(=O)n(C)c3ccc(F)cc23)C1=O
|
C24H25FN4O4 452.486000 |
PMDXADUCFFKNBG-KSSFIOAISA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM237649; PubChem:CID73055430
|
Local ready
Direct docking supported
|
|
E3L011532
BDB011532
|
BDBM237650
CN[C@@H](C)C(=O)N[C@H]1COc2ccccc2N(Cc2c(Cl)n(Cc3ccccc3)c3ccccc23)C1=O
|
C29H29ClN4O3 517.029000 |
IOHRCWWNKMUJHT-CVDCTZTESA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM237650; PubChem:CID90037779
|
Local ready
Direct docking supported
|
|
E3L011533
BDB011533
|
BDBM237651
CCN1C(=O)Cc2c(CN3C(=O)[C@@H](NC(=O)[C@H](C)NC)COc4ccccc43)cccc21
|
C24H28N4O4 436.512000 |
FJKGNKQMJJKBRW-YJBOKZPZSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM237651; PubChem:CID73055432
|
Local ready
Direct docking supported
|
|
E3L011534
BDB011534
|
BDBM237652
C[C@H](N)C(=O)N[C@H]1COc2ccccc2N(Cc2cccc3c2cnn3-c2ccccc2C#N)C1=O
|
C27H24N6O3 480.528000 |
WKHYVISBSHMTKP-UWJYYQICSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM237652; PubChem:CID90060606
|
Local ready
Direct docking supported
|
|
E3L011535
BDB011535
|
BDBM237653
CN[C@@H](C)C(=O)N[C@H]1COc2ccccc2N(Cc2cccc3c2cc(C#N)n3-c2ccccc2C#N)C1=O
|
C30H26N6O3 518.577000 |
POIRGBLAIOEGMB-CYFREDJKSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM237653; PubChem:CID90060641
|
Local ready
Direct docking supported
|
|
E3L011536
BDB011536
|
BDBM237654
C[C@H](NC1COC1)C(=O)N[C@H]1COc2ccccc2N(Cc2nn(-c3ccccc3C#N)c3ccccc23)C1=O
|
C30H28N6O4 536.592000 |
PGJMPWDEKYBAAZ-CYFREDJKSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM237654; PubChem:CID73055732
|
Local ready
Direct docking supported
|
|
E3L011537
BDB011537
|
BDBM237655
C[C@H](NCC(C)(C)O)C(=O)N[C@H]1COc2ccccc2N(Cc2cccc3c2cnn3-c2ccccc2C#N)C1=O
|
C31H32N6O4 552.635000 |
MIQFPRXCDOPCKU-RDPSFJRHSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM237655; PubChem:CID90060724
|
Local ready
Direct docking supported
|
|
E3L011538
BDB011538
|
BDBM237656
C[C@H](NCCO)C(=O)N[C@H]1COc2ccccc2N(Cc2cccc3c2cnn3-c2ccccc2C#N)C1=O
|
C29H28N6O4 524.581000 |
NUMQYQPKPFUALH-CVDCTZTESA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM237656; PubChem:CID90060578
|
Local ready
Direct docking supported
|
|
E3L011539
BDB011539
|
BDBM237657
CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2cccc3c2cnn3-c2ccccc2C#N)c2ccccc2OC12CCOCC2
|
C32H32N6O4 564.646000 |
KZUUTKNHIHFFEC-KCWXNJEJSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM237657; PubChem:CID90060670
|
Local ready
Direct docking supported
|
|
E3L011540
BDB011540
|
BDBM237658
CCN[C@@H](C)C(=O)N[C@H]1COc2ccccc2N(Cc2cc(F)cc3c2cnn3-c2ccccc2C#N)C1=O
|
C29H27FN6O3 526.572000 |
NSAFEIQIDVWJTB-MBSDFSHPSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM237658; PubChem:CID90060671
|
Local ready
Direct docking supported
|