| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L011781
BDB011781
|
BDBM242624
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(C(C)=O)cc2)c2ccccc2N(Cc2c(OC)ccc3cc(C(=O)O)ccc23)C1=O
|
C35H34N4O7 622.678000 |
FVTPBOSWDFCXGN-MMTVBGGISA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM242624
|
Local ready
Direct docking supported
|
|
E3L011782
BDB011782
|
BDBM242625
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(C#N)cc2)c2cc(Cl)ccc2N(Cc2c(OCC(F)(F)F)ccc3cc(Br)ccc23)C1=O
|
C34H28BrClF3N5O4 742.980000 |
DOUYUMOASBGOAP-PPHZAIPVSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM242625
|
Local ready
Direct docking supported
|
|
E3L011783
BDB011783
|
BDBM242626
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(C(C)=O)cc2)c2ccccc2N(Cc2c(OC)ccc3cc(C(=O)NO)ccc23)C1=O
|
C35H35N5O7 637.693000 |
XAHVSYGGAZYANK-MMTVBGGISA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM242626
|
Local ready
Direct docking supported
|
|
E3L011784
BDB011784
|
BDBM242627
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(F)cc2)c2cc(Cl)ccc2N(Cc2c(OCC(F)(F)F)ccc3cc(Br)ccc23)C1=O
|
C33H28BrClF4N4O4 735.960000 |
OWKXLFXHVOCRPK-QYBDOPJKSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM242627
|
Local ready
Direct docking supported
|
|
E3L011785
BDB011785
|
BDBM242628
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CCCC(C)=O)c2ccccc2N(Cc2c(OC)ccc3cc(C(=O)OC)ccc23)C1=O
|
C33H38N4O7 602.688000 |
KEAUHXQFUGWZRT-LVXARBLLSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM242628
|
Local ready
Direct docking supported
|
|
E3L011786
BDB011786
|
BDBM242629
CC[C@H](N)C(=O)NC1C(=O)N(Cc2c(OC)ccc3c(Br)cccc23)c2ccccc2N(c2ccccc2)C1=O
|
C31H29BrN4O4 601.501000 |
FDGYZDRJWNTPHP-ZZDYIDRTSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM242629; PubChem:CID118076741
|
Local ready
Direct docking supported
|
|
E3L011787
BDB011787
|
BDBM242630
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CCCC(C)=O)c2ccccc2N(Cc2c(OC)ccc3cc(C(=O)O)ccc23)C1=O
|
C32H36N4O7 588.661000 |
FXMDDPAOFCIITP-CPJSRVTESA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM242630
|
Local ready
Direct docking supported
|
|
E3L011788
BDB011788
|
BDBM242631
CC[C@H](NCCO)C(=O)NC1C(=O)N(Cc2c(OC)ccc3c(Br)cccc23)c2ccccc2N(c2ccccc2)C1=O
|
C33H33BrN4O5 645.554000 |
CJJFBBNABFDOPN-PKMDPOOCSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM242631; PubChem:CID122531372
|
Local ready
Direct docking supported
|
|
E3L011789
BDB011789
|
BDBM242632
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CCCNC(=O)OCC2c3ccccc3-c3ccccc32)c2ccccc2N(Cc2c(OC)ccc3cc(C(=O)OC)ccc23)C1=O
|
C46H47N5O8 797.909000 |
QIROBYRCQIRCNB-SNFDCCKOSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM242632
|
Local ready
Direct docking supported
|
|
E3L011790
BDB011790
|
BDBM242633
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(C#N)cc2)c2cc(Cl)ccc2N(Cc2c(OC(F)F)ccc3ccccc23)C1=O
|
C33H28ClF2N5O4 632.067000 |
SXXGANNPODJWEW-SIBVEZHUSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM242633
|
Local ready
Direct docking supported
|
|
E3L011791
BDB011791
|
BDBM242634
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CCCN)c2ccccc2N(Cc2c(OC)ccc3cc(C(=O)OC)ccc23)C1=O
|
C31H37N5O6 575.666000 |
OOCGOLCPNAMEDL-CYFREDJKSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM242634
|
Local ready
Direct docking supported
|
|
E3L011792
BDB011792
|
BDBM242635
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(F)cc2)c2cc(Cl)ccc2N(Cc2c(OC(F)F)ccc3ccccc23)C1=O
|
C32H28ClF3N4O4 625.047000 |
PYMRZTOFARKIFX-BVZFJXPGSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM242635
|
Local ready
Direct docking supported
|
|
E3L011793
BDB011793
|
BDBM242636
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CCCN)c2ccccc2N(Cc2c(OC)ccc3cc(C(=O)O)ccc23)C1=O
|
C30H35N5O6 561.639000 |
CDLJEUGALIIVIE-MBSDFSHPSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM242636
|
Local ready
Direct docking supported
|
|
E3L011794
BDB011794
|
BDBM242637
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc3[nH]ncc3c2)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O
|
C33H32N6O3 560.658000 |
MBEFVEUTUQXHSD-KMRXNPHXSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM242637; PubChem:CID122531430
|
Local ready
Direct docking supported
|
|
E3L011795
BDB011795
|
BDBM242638
CN[C@@H](C)C(=O)N[C@H]1CN2C(=O)CCCNC(=O)c3ccc4c(c(OC)ccc4c3)CN(C1=O)c1ccccc12
|
C30H33N5O5 543.624000 |
CAPNFUSCYNKMBU-MBSDFSHPSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM242638
|
Local ready
Direct docking supported
|
|
E3L011796
BDB011796
|
BDBM242639
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(C#N)cc2)c2cc(C#N)ccc2N(Cc2c(OC(F)F)ccc3ccccc23)C1=O
|
C34H28F2N6O4 622.632000 |
NUQCTFCSNHXABS-DCFHFQCYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM242639
|
Local ready
Direct docking supported
|
|
E3L011797
BDB011797
|
BDBM242640
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CCCCN)c2ccccc2N(Cc2c(OC)ccc3cc(C(=O)OC)ccc23)C1=O
|
C32H39N5O6 589.693000 |
ITLOVOGSDIIYGZ-CPJSRVTESA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM242640
|
Local ready
Direct docking supported
|
|
E3L011798
BDB011798
|
BDBM242641
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(C#N)cc2)c2cc(C#N)ccc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O
|
C34H29BrN6O4 665.548000 |
ZFAYVSVZTBMEQS-MMTVBGGISA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM242641
|
Local ready
Direct docking supported
|
|
E3L011799
BDB011799
|
BDBM242642
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CCCCN)c2ccccc2N(Cc2c(OC)ccc3cc(C(=O)O)ccc23)C1=O
|
C31H37N5O6 575.666000 |
ZEQVZXSLPYMCCP-CYFREDJKSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM242642
|
Local ready
Direct docking supported
|
|
E3L011800
BDB011800
|
BDBM242643
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(C#N)cc2)c2cc(C#N)ccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
|
C34H29BrN6O4 665.548000 |
AZHWCQYLXCWUJT-MMTVBGGISA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM242643
|
Local ready
Direct docking supported
|