| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L002401
BDB002401
|
BDBM44357
CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)NC1CCCc2ccccc21)C(C)C
|
C24H37N5O4 459.591000 |
AVJWVEBDWRDTMQ-NMCQPPDNSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM44357; PubChem:CID44229045
|
Local ready
Direct docking supported
|
|
E3L002402
BDB002402
|
BDBM44358
CC[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)NNc1ccccc1)C(C)C
|
C18H29N5O3 363.462000 |
GFMQOQJFOGAUSV-QEJZJMRPSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM44358; PubChem:CID44229047
|
Local ready
Direct docking supported
|
|
E3L002403
BDB002403
|
BDBM44359
CC[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)Nc1cccc2ccccc12)C(C)C
|
C22H30N4O3 398.507000 |
JZDVCAVSUXJVOM-FNHZYXHNSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM44359; PubChem:CID44229049
|
Local ready
Direct docking supported
|
|
E3L002404
BDB002404
|
BDBM44360
CNC(C)C(=O)NC(C(=O)N1CCCC1C(=O)NC(c1ccccc1)c1ccccc1)C1CCCCC1
|
C30H40N4O3 504.675000 |
IEJKFYIVTNQIEA-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM44360; PubChem:CID25181247
|
Local ready
Direct docking supported
|
|
E3L002405
BDB002405
|
BDBM44361
CNC(C)C(=O)NC(C(=O)N1CCCC1C(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1
|
C30H34N4O3 498.627000 |
YKABHUXQCDNVQB-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM44361; PubChem:CID25181249
|
Local ready
Direct docking supported
|
|
E3L002406
BDB002406
|
BDBM44362
CN[C@@H](C)C(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccccn1)C(C)C
|
C20H31N5O3 389.500000 |
UMKKZVBSRXLEFJ-BHYGNILZSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM44362; PubChem:CID25241644
|
Local ready
Direct docking supported
|
|
E3L002407
BDB002407
|
BDBM44363
CN[C@@H](C)C(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)Nc1cccc2ccccc12)C(C)C
|
C24H32N4O3 424.545000 |
FLKHNUHOOQHJNR-ORYQWCPZSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM44363; PubChem:CID25241650
|
Local ready
Direct docking supported
|
|
E3L002408
BDB002408
|
BDBM44364
CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1
|
C20H29N3O4 375.469000 |
BZRZRUVRSNGCQS-XIRDDKMYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM44364; PubChem:CID25241695
|
Local ready
Direct docking supported
|
|
E3L002409
BDB002409
|
BDBM44365
CC(C)[C@H](NC(=O)[C@@H](C)N)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1
|
C26H34N4O3 450.583000 |
WKJJKOCFFPMSNU-COPCDDAFSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM44365; PubChem:CID25241697
|
Local ready
Direct docking supported
|
|
E3L002410
BDB002410
|
BDBM44366
CC(C)[C@H](NC(=O)[C@@H](C)N)C(=O)N1CCC[C@H]1C(=O)NC1CCCc2ccccc21
|
C23H34N4O3 414.550000 |
SFRVYPIUUWBYMW-BOOBWOIWSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM44366; PubChem:CID25241699
|
Local ready
Direct docking supported
|
|
E3L002411
BDB002411
|
BDBM44367
CN[C@@H](C)C(=O)N[C@H]1CCCCN(CC(=O)NC2CCCc3ccccc32)C1=O
|
C22H32N4O3 400.523000 |
NNNNMNLCCNVBBD-GZMMRYBBSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM44367; PubChem:CID44182172
|
Local ready
Direct docking supported
|
|
E3L002412
BDB002412
|
BDBM44368
CN[C@@H](C)C(=O)N[C@H]1CCCCN(CC(=O)NNc2ccc(Cl)c(Cl)c2)C1=O
|
C18H25Cl2N5O3 430.336000 |
QZLHRUWKJVXDOP-NHYWBVRUSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM44368; PubChem:CID44182190
|
Local ready
Direct docking supported
|
|
E3L002413
BDB002413
|
BDBM44482
CC(C)C(C(=O)O)N1C(=O)/C(=C/C=C/c2ccco2)SC1=S
|
C15H15NO4S2 337.422000 |
VXDQDIVHBFUZKI-PGACXJNKSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM44482; PubChem:CID6393068
|
Local ready
Direct docking supported
|
|
E3L002414
BDB002414
|
BDBM44608
CCc1nnc(NC(=O)CCC(=O)N2CCN(CCOc3ccc(C)cc3)CC2)s1
|
C21H29N5O3S 431.562000 |
LNGWVZBNOGLPNY-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM44608; PubChem:CID663447
|
Local ready
Direct docking supported
|
|
E3L002415
BDB002415
|
BDBM44711
O=C(O)c1cccc(-n2c(O)c3c(c2O)CC(Cl)=CC3)c1
|
C15H12ClNO4 305.717000 |
MGPYLMQGGACFKB-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM44711; PubChem:CID91896601
|
Local ready
Direct docking supported
|
|
E3L002416
BDB002416
|
BDBM44997
Cc1ccc(N=Nc2c(N)[nH]n3c(=O)cc(-c4ccccc4)nc23)cc1
|
C19H16N6O 344.378000 |
QWPIQPRIAKLIGZ-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM44997; PubChem:CID135431535
|
Local ready
Direct docking supported
|
|
E3L002417
BDB002417
|
BDBM45083
Cc1ccc(/C=C2\SC(=S)N(CCC(=O)NNS(=O)(=O)c3ccc(C)cc3)C2=O)cc1
|
C21H21N3O4S3 475.617000 |
QYXLSUDIEWJCNW-AQTBWJFISA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM45083; PubChem:CID1862623
|
Local ready
Direct docking supported
|
|
E3L002418
BDB002418
|
BDBM45287
Cc1sc(NC(=O)CSc2nnnn2C2CCCC2)c(C#N)c1C
|
C15H18N6OS2 362.484000 |
IWBIXXVPFAVKEO-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45287; PubChem:CID644712
|
Local ready
Direct docking supported
|
|
E3L002419
BDB002419
|
BDBM45288
Cc1cc(C)c2nc(N3CCN(C)CC3)c(C#N)cc2c1
|
C17H20N4 280.375000 |
RBMMHDHXQQMEMH-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45288; PubChem:CID644966
|
Local ready
Direct docking supported
|
|
E3L002420
BDB002420
|
BDBM45289
CC(=O)c1ccc(N2CCN(S(=O)(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)CC2)cc1
|
C22H27N3O6S2 493.607000 |
UZYRITPJTJTRGM-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM45289; PubChem:CID644974
|
Local ready
Direct docking supported
|