| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L011861
BDB011861
|
BDBM242805
CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)ccc3c(Br)cccc23)c2ccc(C#N)cc2N(C(=O)CS(C)(=O)=O)[C@H]1C
|
C30H32BrN5O6S 670.586000 |
QZWAOOPKUULGAJ-RAALOAAWSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM242805
|
Local ready
Direct docking supported
|
|
E3L011862
BDB011862
|
BDBM242806
CCN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(C)ccc3ccccc23)c2ccc(C#N)cc2N(C(=O)CS(C)(=O)=O)[C@H]1C
|
C31H35N5O5S 589.718000 |
ZLLWXIZFAOBFHN-WURXVLGASA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM242806
|
Local ready
Direct docking supported
|
|
E3L011863
BDB011863
|
BDBM242807
CC[C@H](NC)C(=O)N[C@@H]1C(=O)N(Cc2c(C)ccc3ccccc23)c2ccc(C#N)cc2N(C(=O)CS(C)(=O)=O)[C@H]1C
|
C31H35N5O5S 589.718000 |
ZCNDJAKSDWSZNN-POWSXZFQSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM242807
|
Local ready
Direct docking supported
|
|
E3L011864
BDB011864
|
BDBM242808
CCN[C@@H](CC)C(=O)N[C@@H]1C(=O)N(Cc2c(C)ccc3ccccc23)c2ccc(C#N)cc2N(C(=O)CS(C)(=O)=O)[C@H]1C
|
C32H37N5O5S 603.745000 |
COHOWWPPBPEALO-GLSOUHKVSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM242808
|
Local ready
Direct docking supported
|
|
E3L011865
BDB011865
|
BDBM242809
CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(C3CC3)cnc3ccccc23)c2ccc(C#N)cc2N(C(C)=O)[C@H]1C
|
C30H32N6O3 524.625000 |
HCCKZIHUNIJRNQ-RAALOAAWSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM242809; PubChem:CID73425873
|
Local ready
Direct docking supported
|
|
E3L011866
BDB011866
|
BDBM242810
CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)ccc3ccccc23)c2ccc(C#N)cc2N(C(=O)C2CCOCC2)[C@H]1C
|
C33H37N5O5 583.689000 |
SPDJONXXJSCWDU-LPBFERMMSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM242810; PubChem:CID90082452
|
Local ready
Direct docking supported
|
|
E3L011867
BDB011867
|
BDBM242811
CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(C3CC3)cnc3ccccc23)c2ccc(C#N)cc2N(C(=O)C2CCOCC2)[C@H]1C
|
C34H38N6O4 594.716000 |
AXLDLVGVTPTNKI-IHPVIADISA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM242811
|
Local ready
Direct docking supported
|
|
E3L011868
BDB011868
|
BDBM242812
CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2cc(Br)ccc2OC)c2ccc(C#N)cc2N(C(C)=O)[C@H]1C
|
C25H28BrN5O4 542.434000 |
KRFYDBXKYJZJDK-NPGVVQFXSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM242812; PubChem:CID73425879
|
Local ready
Direct docking supported
|
|
E3L011869
BDB011869
|
BDBM242813
CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2cc(-c3ccccc3)ccc2OC)c2ccc(C#N)cc2N(C(C)=O)[C@H]1C
|
C31H33N5O4 539.636000 |
CUHFFFYYNOXTOY-SGHJWQDXSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM242813; PubChem:CID73425877
|
Local ready
Direct docking supported
|
|
E3L011870
BDB011870
|
BDBM242814
CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2cc(-c3ccccc3F)ccc2OC)c2ccc(C#N)cc2N(C(C)=O)[C@H]1C
|
C31H32FN5O4 557.626000 |
LBFDNWJWBWGNLJ-GWZHAIQQSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM242814; PubChem:CID73425875
|
Local ready
Direct docking supported
|
|
E3L011871
BDB011871
|
BDBM242815
CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2cc(=O)oc3cc(Cl)ccc23)c2ccccc2N(C(=O)CS(C)(=O)=O)[C@H]1C
|
C27H29ClN4O7S 589.070000 |
VPUVARHCHWBJIY-NWLBTCKQSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM242815; PubChem:CID73425989
|
Local ready
Direct docking supported
|
|
E3L011872
BDB011872
|
BDBM242816
CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2noc3cc(Br)ccc23)c2ccccc2N(C(=O)CS(C)(=O)=O)[C@H]1C
|
C25H28BrN5O6S 606.499000 |
CDMOQOOUDAINKO-NPGVVQFXSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM242816; PubChem:CID73425991
|
Local ready
Direct docking supported
|
|
E3L011873
BDB011873
|
BDBM242817
CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(C3CC3)cnc3ccccc23)c2ccccc2N(C(=O)CS(C)(=O)=O)[C@H]1C
|
C30H35N5O5S 577.707000 |
QZLSQVDANDFUBV-CLWPXKJUSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM242817; PubChem:CID73425993
|
Local ready
Direct docking supported
|
|
E3L011874
BDB011874
|
BDBM242818
CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2cc(Cl)ccc2OC)c2ccccc2N(C(=O)CS(C)(=O)=O)[C@H]1C
|
C25H31ClN4O6S 551.065000 |
PMTFHDHYPKXXAD-KXNSMUHISA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM242818; PubChem:CID73425995
|
Local ready
Direct docking supported
|
|
E3L011875
BDB011875
|
BDBM242819
CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC(F)F)ccc3ccccc23)c2ccccc2N(C(=O)CS(C)(=O)=O)[C@H]1C
|
C29H32F2N4O6S 602.660000 |
MNIYOTLJSFJWFR-XWXLMPLOSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM242819
|
Local ready
Direct docking supported
|
|
E3L011876
BDB011876
|
BDBM242820
CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)cnc3ccccc23)c2ccccc2N(C(=O)CS(C)(=O)=O)[C@H]1C
|
C28H33N5O6S 567.668000 |
QFSVMEQHAMMPOE-XWXLMPLOSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM242820; PubChem:CID73426103
|
Local ready
Direct docking supported
|
|
E3L011877
BDB011877
|
BDBM242821
CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)ccc3c(Br)cccc23)c2ccccc2N(C(=O)CCOC)[C@H]1C
|
C30H35BrN4O5 611.537000 |
QXTYBVHDSWREHO-CLWPXKJUSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM242821
|
Local ready
Direct docking supported
|
|
E3L011878
BDB011878
|
BDBM242822
CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)ccc3ccccc23)c2ccccc2N(C(=O)CCOC)[C@H]1C
|
C30H36N4O5 532.641000 |
UFQKCWATIVDCEZ-JVAKCPTJSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM242822; PubChem:CID73426107
|
Local ready
Direct docking supported
|
|
E3L011879
BDB011879
|
BDBM242823
CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(C3CC3)cnc3ccccc23)c2ccc(C#N)cc2N(C(=O)CS(C)(=O)=O)[C@H]1C
|
C31H34N6O5S 602.717000 |
GIGNJHOYFVCDOD-GWZHAIQQSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM242823
|
Local ready
Direct docking supported
|
|
E3L011880
BDB011880
|
BDBM242824
CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2nn(-c3ccccc3C#N)c3ccccc23)c2ccc(C#N)cc2N(C(=O)CS(C)(=O)=O)[C@H]1C
|
C33H32N8O5S 652.737000 |
VKAPUENCVUDUAS-IHPVIADISA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM242824
|
Local ready
Direct docking supported
|