| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L003581
BDB003581
|
BDBM79848
Cc1cccc(-c2ccc(C(=O)N(C)CC3CCCCC3)c(S(C)(=O)=O)c2)c1
|
C23H29NO3S 399.556000 |
BJJNHAWSHJLARE-UHFFFAOYSA-N | P19474 | E3 ubiquitin-protein ligase TRIM21 |
BindingDB, PubChem
BindingDB:BDBM79848; PubChem:CID178289572
|
Local ready
Direct docking supported
|
|
E3L003582
BDB003582
|
BDBM79849
CN(CC1CCCCC1)C(=O)c1ccc(-c2ccccc2F)cc1S(C)(=O)=O
|
C22H26FNO3S 403.519000 |
UKEYDPROJHHPRK-UHFFFAOYSA-N | P19474 | E3 ubiquitin-protein ligase TRIM21 |
BindingDB, PubChem
BindingDB:BDBM79849; PubChem:CID178289573
|
Local ready
Direct docking supported
|
|
E3L003583
BDB003583
|
BDBM79850
CC(C)c1ccccc1-c1ccc(C(=O)N(C)CC2CCCCC2)c(S(C)(=O)=O)c1
|
C25H33NO3S 427.610000 |
HTVYMVWLQLCJOE-UHFFFAOYSA-N | P19474 | E3 ubiquitin-protein ligase TRIM21 |
BindingDB, PubChem
BindingDB:BDBM79850; PubChem:CID178289574
|
Local ready
Direct docking supported
|
|
E3L003584
BDB003584
|
BDBM79851
CN(CC1CCCCC1)C(=O)c1ccc(-c2cccc3ccoc23)cc1S(C)(=O)=O
|
C24H27NO4S 425.550000 |
IRWSPMAVWADGEK-UHFFFAOYSA-N | P19474 | E3 ubiquitin-protein ligase TRIM21 |
BindingDB, PubChem
BindingDB:BDBM79851; PubChem:CID178289575
|
Local ready
Direct docking supported
|
|
E3L003585
BDB003585
|
BDBM79852
CN(CC1CCCCC1)C(=O)c1ccc(-c2cccc3occc23)cc1S(C)(=O)=O
|
C24H27NO4S 425.550000 |
MVOXSCAIQFRBCQ-UHFFFAOYSA-N | P19474 | E3 ubiquitin-protein ligase TRIM21 |
BindingDB, PubChem
BindingDB:BDBM79852; PubChem:CID178289576
|
Local ready
Direct docking supported
|
|
E3L003586
BDB003586
|
BDBM79853
CN(CC1CCCCC1)C(=O)c1ccc(-c2cccc(C3CC3)c2)cc1S(C)(=O)=O
|
C25H31NO3S 425.594000 |
FUERXFPEPKIPMT-UHFFFAOYSA-N | P19474 | E3 ubiquitin-protein ligase TRIM21 |
BindingDB, PubChem
BindingDB:BDBM79853; PubChem:CID178289577
|
Local ready
Direct docking supported
|
|
E3L003587
BDB003587
|
BDBM79854
CN(CC1CCCCC1)C(=O)c1ccc(-c2cccc3[nH]ccc23)cc1S(C)(=O)=O
|
C24H28N2O3S 424.566000 |
OOEFAZXWWJUULD-UHFFFAOYSA-N | P19474 | E3 ubiquitin-protein ligase TRIM21 |
BindingDB, PubChem
BindingDB:BDBM79854; PubChem:CID178289578
|
Local ready
Direct docking supported
|
|
E3L003588
BDB003588
|
BDBM79855
CN(CC1CCCCC1)C(=O)c1ccc(-c2cccc3cc[nH]c23)cc1S(C)(=O)=O
|
C24H28N2O3S 424.566000 |
PSCYOYGWNBASED-UHFFFAOYSA-N | P19474 | E3 ubiquitin-protein ligase TRIM21 |
BindingDB, PubChem
BindingDB:BDBM79855; PubChem:CID178289579
|
Local ready
Direct docking supported
|
|
E3L003589
BDB003589
|
BDBM79857
COc1cc(F)ccc1-c1ccc(C(=O)N(C)CC2CCCCC2)c(S(C)(=O)=O)c1
|
C23H28FNO4S 433.545000 |
RWZONWSJBFBUKO-UHFFFAOYSA-N | P19474 | E3 ubiquitin-protein ligase TRIM21 |
BindingDB, PubChem
BindingDB:BDBM79857; PubChem:CID178289580
|
Local ready
Direct docking supported
|
|
E3L003590
BDB003590
|
BDBM79858
CCc1ccccc1-c1ccc(C(=O)N(C)CC2CCCCC2)c(S(C)(=O)=O)c1
|
C24H31NO3S 413.583000 |
LYDQJVGTBRHFFK-UHFFFAOYSA-N | P19474 | E3 ubiquitin-protein ligase TRIM21 |
BindingDB, PubChem
BindingDB:BDBM79858; PubChem:CID178289581
|
Local ready
Direct docking supported
|
|
E3L003591
BDB003591
|
BDBM79859
CN(CC1CCCCC1)C(=O)c1ccc(-c2ccc(F)cc2)cc1S(C)(=O)=O
|
C22H26FNO3S 403.519000 |
VFTFVQLZOMOEGP-UHFFFAOYSA-N | P19474 | E3 ubiquitin-protein ligase TRIM21 |
BindingDB, PubChem
BindingDB:BDBM79859; PubChem:CID178289582
|
Local ready
Direct docking supported
|
|
E3L003592
BDB003592
|
BDBM79860
CSc1cc(F)ccc1-c1ccc(C(=O)N(C)CC2CCOCC2)c(S(C)(=O)=O)c1
|
C22H26FNO4S2 451.585000 |
FALBTADCQHZIMC-UHFFFAOYSA-N | P19474 | E3 ubiquitin-protein ligase TRIM21 |
BindingDB, PubChem
BindingDB:BDBM79860; PubChem:CID178289583
|
Local ready
Direct docking supported
|
|
E3L003593
BDB003593
|
BDBM79861
CSc1cc(F)ccc1-c1ccc(C(=O)N(C)Cc2cc[nH]c(=O)c2)c(S(C)(=O)=O)c1
|
C22H21FN2O4S2 460.552000 |
XRHYOWJRSOGGGC-UHFFFAOYSA-N | P19474 | E3 ubiquitin-protein ligase TRIM21 |
BindingDB, PubChem
BindingDB:BDBM79861; PubChem:CID178289584
|
Local ready
Direct docking supported
|
|
E3L003594
BDB003594
|
BDBM79862
COc1cc(F)ccc1-c1ccc(C(=O)N(C)Cc2cc[nH]c(=O)c2)c(S(C)(=O)=O)c1
|
C22H21FN2O5S 444.484000 |
SHXKYGZKGCTDJE-UHFFFAOYSA-N | P19474 | E3 ubiquitin-protein ligase TRIM21 |
BindingDB, PubChem
BindingDB:BDBM79862; PubChem:CID178289585
|
Local ready
Direct docking supported
|
|
E3L003595
BDB003595
|
BDBM79864
CN(CC1CCCCC1)C(=O)c1ccc(-c2ccccc2)cc1S(C)(=O)=O
|
C22H27NO3S 385.529000 |
QETZAONDANKXJO-UHFFFAOYSA-N | P19474 | E3 ubiquitin-protein ligase TRIM21 |
BindingDB, PubChem
BindingDB:BDBM79864; PubChem:CID178289586
|
Local ready
Direct docking supported
|
|
E3L003596
BDB003596
|
AC1Lde0K
FC(F)(F)C1=Nc2cccc3cccc(c23)N1
|
C12H7F3N2 236.196000 |
HVARHVMCZYYPQJ-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM80049; PubChem:CID616832
|
Local ready
Direct docking supported
|
|
E3L003597
BDB003597
|
BDBM80137
O=C(O)C1CC(c2ccc(F)cc2)=NO1
|
C10H8FNO3 209.176000 |
PBZBMHSUDXPYCP-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM80137; PubChem:CID2981857
|
Local ready
Direct docking supported
|
|
E3L003598
BDB003598
|
BDBM80252
C=C(C)C(=O)Nc1cccc(C2=NOC3(C2)C[C@H](C(N)=O)N(C(=O)c2ccccc2C(=O)c2ccccc2)C3)c1
|
C31H28N4O5 536.588000 |
AWMQHPXXIHCPRB-SYQKMTEESA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM80252; PubChem:CID16681961
|
Local ready
Direct docking supported
|
|
E3L003599
BDB003599
|
BDBM80289
C=C(C)C(=O)Nc1cccc(C2=NOC3(C2)C[C@@H](C(N)=O)N(C(=O)/C=C/CC)C3)c1
|
C22H26N4O4 410.474000 |
VESRJKLHANLKDM-CMVJWDLVSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM80289; PubChem:CID16745457
|
Local ready
Direct docking supported
|
|
E3L003600
BDB003600
|
BDBM80290
C=C(C)C(=O)Nc1cccc(C2=NOC3(C2)C[C@H](C(N)=O)N(C(=O)COc2ccc(Cl)cc2)C3)c1
|
C25H25ClN4O5 496.951000 |
SSSGETUBQMNOFY-JGKWMGOWSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM80290; PubChem:CID16745478
|
Local ready
Direct docking supported
|