| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L011821
BDB011821
|
BDBM242665
CCN[C@@H](CC)C(=O)N[C@H]1CN(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O
|
C30H35BrN4O6S 659.603000 |
AERGOPXVHFXTRA-ZEQRLZLVSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM242665
|
Local ready
Direct docking supported
|
|
E3L011822
BDB011822
|
BDBM242666
COc1ccc2ccccc2c1CN1C(=O)[C@@H](NC(=O)[C@H](C)N)CN(C(=O)c2ccc(N)cc2)c2ccccc21
|
C31H31N5O4 537.620000 |
OLTFAVQZOZOOLQ-DFBJGRDBSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM242666; PubChem:CID118076749
|
Local ready
Direct docking supported
|
|
E3L011823
BDB011823
|
BDBM242667
CCN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O
|
C29H33BrN4O6S 645.576000 |
FGSKCZWRRAOLCH-MBSDFSHPSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM242667
|
Local ready
Direct docking supported
|
|
E3L011824
BDB011824
|
BDBM242668
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O
|
C32H31N5O5 565.630000 |
HAOHFLWHICJWHC-IDISGSTGSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM242668; PubChem:CID118076995
|
Local ready
Direct docking supported
|
|
E3L011825
BDB011825
|
BDBM242669
CCN[C@@H](CC)C(=O)N[C@H]1CN(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
|
C30H35BrN4O6S 659.603000 |
IUNPGRYHIFZUCJ-ZEQRLZLVSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM242669
|
Local ready
Direct docking supported
|
|
E3L011826
BDB011826
|
BDBM242670
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(N)cc2)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O
|
C32H33N5O3 535.648000 |
GQDZIRQSHUDXHH-IDISGSTGSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM242670
|
Local ready
Direct docking supported
|
|
E3L011827
BDB011827
|
BDBM242671
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc3cn[nH]c3c2)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O
|
C33H32N6O3 560.658000 |
NPFATMHUIZPLQQ-KMRXNPHXSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM242671; PubChem:CID122531434
|
Local ready
Direct docking supported
|
|
E3L011828
BDB011828
|
BDBM242672
CC(=O)c1ccc(C(=O)N2C[C@H](NC(=O)[C@@H](C)N)C(=O)N(Cc3c(C)ccc4ccccc34)c3ccccc32)cc1
|
C33H32N4O4 548.643000 |
HDRZXKUDFVCNST-PIKZIKFNSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM242672
|
Local ready
Direct docking supported
|
|
E3L011829
BDB011829
|
BDBM242673
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2nn(-c3ccccc3C#N)c3ccccc23)C1=O
|
C31H31N7O5S 613.700000 |
RNAGNPWGXYIJQW-RDPSFJRHSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM242673
|
Local ready
Direct docking supported
|
|
E3L011830
BDB011830
|
BDBM242674
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(C(C)=O)cc2)c2ccccc2N(Cc2c(OCC(F)(F)F)ccc3ccccc23)C1=O
|
C35H33F3N4O5 646.666000 |
URMJPEDUVJVTIM-KMRXNPHXSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM242674; PubChem:CID118076549
|
Local ready
Direct docking supported
|
|
E3L011831
BDB011831
|
BDBM242675
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CS(C)(=O)=O)c2cc(C#N)ccc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O
|
C29H30BrN5O6S 656.559000 |
WEPCTAAUSDCYCZ-SBUREZEXSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM242675
|
Local ready
Direct docking supported
|
|
E3L011832
BDB011832
|
BDBM242676
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(C(C)=O)cc2)c2ccccc2N(Cc2c(OCC(F)(F)F)c[n+]([O-])c3ccccc23)C1=O
|
C34H32F3N5O6 663.653000 |
NAPUAFOAUICUGC-FNZWTVRRSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM242676
|
Local ready
Direct docking supported
|
|
E3L011833
BDB011833
|
BDBM242677
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CS(C)(=O)=O)c2cc(C#N)ccc2N(Cc2nn(-c3ccccc3C#N)c3ccccc23)C1=O
|
C32H30N8O5S 638.710000 |
YEBBKUXDMIGMKX-CPJSRVTESA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM242677
|
Local ready
Direct docking supported
|
|
E3L011834
BDB011834
|
BDBM242678
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(N)cc2)c2ccccc2N(Cc2noc3ccccc23)C1=O
|
C28H28N6O4 512.570000 |
TZQFENVHHXGDDJ-JTSKRJEESA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM242678; PubChem:CID118077019
|
Local ready
Direct docking supported
|
|
E3L011835
BDB011835
|
BDBM242679
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(C(C)=O)cc2)c2cc(C#N)ccc2N(Cc2nn(-c3ccccc3C#N)c3ccccc23)C1=O
|
C38H32N8O4 664.726000 |
HBKKLPXJCFYOFR-FWUCURJTSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM242679
|
Local ready
Direct docking supported
|
|
E3L011836
BDB011836
|
BDBM242680
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(C(=O)OC)cc2)c2ccccc2N(Cc2noc3ccccc23)C1=O
|
C30H29N5O6 555.591000 |
JMSWMUZCNLHGNA-MBSDFSHPSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM242680
|
Local ready
Direct docking supported
|
|
E3L011837
BDB011837
|
BDBM242681
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(F)cc2)c2cc(C#N)ccc2N(Cc2nn(-c3ccccc3C#N)c3ccccc23)C1=O
|
C36H29FN8O3 640.679000 |
SQGMCBHFFRQSCB-ZTOMLWHTSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM242681
|
Local ready
Direct docking supported
|
|
E3L011838
BDB011838
|
BDBM242682
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(C#N)cc2)c2ccccc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O
|
C33H30BrN5O4 640.538000 |
LNKXDVFBJVCXBW-DCFHFQCYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM242682
|
Local ready
Direct docking supported
|
|
E3L011839
BDB011839
|
BDBM242783
CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)ccc3c(Br)cccc23)c2ccccc2N(C(=O)c2ccc(C(C)=O)cc2)[C@H]1C
|
C35H35BrN4O5 671.592000 |
PUOMKIKLDBHALP-XTTQDGHVSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM242783; PubChem:CID73388485
|
Local ready
Direct docking supported
|
|
E3L011840
BDB011840
|
BDBM242784
CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)ccc3cc(Br)ccc23)c2ccccc2N(C(=O)c2ccc(C(C)=O)cc2)[C@H]1C
|
C35H35BrN4O5 671.592000 |
JYOVYYKXMHCZSC-XTTQDGHVSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM242784; PubChem:CID90082374
|
Local ready
Direct docking supported
|