| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L003061
BDB003061
|
BDBM59362
COc1ccccc1-c1nnc(SCC(=O)NCc2c(C)c(Cl)cc(C(C)C)c2O)o1
|
C22H24ClN3O4S 461.971000 |
CTGWINJZZRMVHV-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59362; PubChem:CID1301492
|
Local ready
Direct docking supported
|
|
E3L003062
BDB003062
|
BDBM59363
COc1ccc(-c2nnc(NC(=O)c3cc(C)on3)s2)cc1
|
C14H12N4O3S 316.342000 |
HBAKYYPAFFDXGL-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59363; PubChem:CID1246159
|
Local ready
Direct docking supported
|
|
E3L003063
BDB003063
|
Dimethyl 2-[(methylsulfonyl)amino]terephthalate
COC(=O)c1ccc(C(=O)OC)c(NS(C)(=O)=O)c1
|
C11H13NO6S 287.293000 |
GKTMTMBHZCORLO-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59364; PubChem:CID669033
|
Local ready
Direct docking supported
|
|
E3L003064
BDB003064
|
2-chloro-5-(methylthio)-N-propylbenzamide
CCCNC(=O)c1cc(SC)ccc1Cl
|
C11H14ClNOS 243.759000 |
SWDVQACCNZSHJC-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59365; PubChem:CID2961456
|
Local ready
Direct docking supported
|
|
E3L003065
BDB003065
|
1-(4-Methoxy-2,3-dimethylphenyl)sulfonylpyrrolidine
COc1ccc(S(=O)(=O)N2CCCC2)c(C)c1C
|
C13H19NO3S 269.366000 |
LNQKGNFEXBPNNA-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59366; PubChem:CID970938
|
Local ready
Direct docking supported
|
|
E3L003066
BDB003066
|
BDBM59367
Cc1cc(Cl)ccc1OCC(=O)Nc1ccccc1CO
|
C16H16ClNO3 305.761000 |
ZHSHDYJFLJZQHK-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59367; PubChem:CID879655
|
Local ready
Direct docking supported
|
|
E3L003067
BDB003067
|
BDBM59368
O=C(c1cc(-n2cnnc2)ccc1Cl)N1CCN(c2nc(-c3ccccc3)cs2)CC1
|
C22H19ClN6OS 450.955000 |
CAVIARHZIDKSEG-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59368; PubChem:CID1264009
|
Local ready
Direct docking supported
|
|
E3L003068
BDB003068
|
BDBM59369
O=C(O)C1C2C=CC(C2)C1C(=O)Nc1ccc(C(=O)N2CCCCC2)cc1
|
C21H24N2O4 368.433000 |
LHQSXNQSQNPTRT-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59369; PubChem:CID2942023
|
Local ready
Direct docking supported
|
|
E3L003069
BDB003069
|
BDBM59370
CCOC(=O)CCc1c(C)c2ccc(O)cc2oc1=O
|
C15H16O5 276.288000 |
JFRVIXNRVMZXFB-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59370; PubChem:CID5351036
|
Local ready
Direct docking supported
|
|
E3L003070
BDB003070
|
4-(4-Hydroxybenzoyl)phthalic acid
O=C(c1ccc(O)cc1)c1ccc(C(=O)O)c(C(=O)O)c1
|
C15H10O6 286.239000 |
QBNQZYSYEDBAIE-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59371; PubChem:CID786803
|
Local ready
Direct docking supported
|
|
E3L003071
BDB003071
|
BDBM59372
C=CCn1c(SCC(=O)NCc2ccco2)nnc1-c1ccc2ccccc2n1
|
C21H19N5O2S 405.483000 |
PNNPDXTXHQHWMF-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59372; PubChem:CID1094854
|
Local ready
Direct docking supported
|
|
E3L003072
BDB003072
|
Coumarin, 3-amino-4-cyclohexylamino-
Nc1c(NC2CCCCC2)c2ccccc2oc1=O
|
C15H18N2O2 258.321000 |
YFRHGJUZBYPRIZ-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59373; PubChem:CID50494
|
Local ready
Direct docking supported
|
|
E3L003073
BDB003073
|
BDBM59374
O=c1nc(NCc2ccco2)sc2ncccc12
|
C12H9N3O2S 259.290000 |
DCMDRUNBTOYUFA-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59374; PubChem:CID2217458
|
Local ready
Direct docking supported
|
|
E3L003074
BDB003074
|
BDBM59375
O=C(NCc1cccs1)C1CC(c2ccccc2O)=NO1
|
C15H14N2O3S 302.355000 |
XYGZIXVKBZIKIR-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59375; PubChem:CID2962272
|
Local ready
Direct docking supported
|
|
E3L003075
BDB003075
|
BDBM59376
CC(C)CNS(=O)(=O)c1ccc(CCC(=O)N2CCN(Cc3ccccc3)CC2)cc1
|
C24H33N3O3S 443.613000 |
CLZFNDMEJGDKRX-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59376; PubChem:CID2951507
|
Local ready
Direct docking supported
|
|
E3L003076
BDB003076
|
2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetic acid
Cc1ccc2c(c1)NC(=O)C(CC(=O)O)O2
|
C11H11NO4 221.212000 |
RXCSQRXSUWWVCV-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59377; PubChem:CID5307534
|
Local ready
Direct docking supported
|
|
E3L003077
BDB003077
|
BDBM59378
CC1(C)CC(=O)N(CC(=O)O)c2ccccc2S1(=O)=O
|
C13H15NO5S 297.332000 |
XSZVWSFTLWWYOY-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59378; PubChem:CID5307718
|
Local ready
Direct docking supported
|
|
E3L003078
BDB003078
|
BDBM59379
CC(C)C(NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)C(C)C
|
C16H22N2O4S 338.429000 |
BNEFJXZSVSTXDM-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59379; PubChem:CID967057
|
Local ready
Direct docking supported
|
|
E3L003079
BDB003079
|
BDBM59380
Cc1cccc(OCc2nc(C#N)c(NCCN(C)C)o2)c1
|
C16H20N4O2 300.362000 |
RCPZMLIOKSOKKV-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59380; PubChem:CID714151
|
Local ready
Direct docking supported
|
|
E3L003080
BDB003080
|
BDBM59381
CCOCCCNC(=O)c1cn(CC(C)C)c(=O)c2cc(OC)c(OC)cc12
|
C21H30N2O5 390.480000 |
CFRBMLKPAOBXRN-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59381; PubChem:CID5307982
|
Local ready
Direct docking supported
|