| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L044661
BDB044661
|
BDBM50030263
CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)c2ccc(C(=O)Nc3ccc4c(c3)CN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)SCC(=O)NCCCNCCCNCCCCNCCCN)[C@H](C(=O)N[C@@H]3CCCc5ccccc53)C4)cc2)C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C
|
C77H113N15O9S 1424.914000 |
ZMXKIYQYKSPEKG-ZLUZKAKLSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM50030263
|
Local ready
Direct docking supported
|
|
E3L044662
BDB044662
|
BDBM50030264
CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)c2ccc(C(=O)Nc3ccc4c(c3)CN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)SCC(=O)NCCCNCCCCNCCCN)[C@H](C(=O)N[C@@H]3CCCc5ccccc53)C4)cc2)C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C
|
C74H106N14O9S 1367.818000 |
CIWSKTYTWYRRIW-ONVBUOODSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM50030264
|
Local ready
Direct docking supported
|
|
E3L044663
BDB044663
|
BDBM50030265
CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)c2ccc(CN(C(=O)[C@@H]3Cc4ccccc4CN3C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)[C@H](COC)c3ccccc3)cc2)C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C
|
C62H83N9O8 1082.401000 |
XZWQAFLMOTZHHO-UICOXBBFSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM50030265
|
Local ready
Direct docking supported
|
|
E3L044664
BDB044664
|
BDBM50030266
CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)c2ccc(CN(C(=O)[C@@H]3Cc4ccccc4CN3C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)[C@@H](COC)c3ccccc3)cc2)C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C
|
C62H83N9O8 1082.401000 |
XZWQAFLMOTZHHO-DFNGJWONSA-N | P98170, Q13489, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM50030266
|
Local ready
Direct docking supported
|
|
E3L044665
BDB044665
|
BDBM50030267
CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)c2ccc(CN(C(=O)[C@@H]3Cc4ccccc4CN3C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)[C@@H](C)c3cccc(F)c3F)cc2)C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C
|
C61H79F2N9O7 1088.355000 |
XKVHXUXRQUCUTL-XNSIXTBXSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM50030267
|
Local ready
Direct docking supported
|
|
E3L044666
BDB044666
|
BDBM50030268
CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)c2ccc(CN(C(=O)[C@@H]3Cc4ccccc4CN3C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)[C@H](C)c3ccccc3F)cc2)C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C
|
C61H80FN9O7 1070.365000 |
SUVGZSPIXFUCLS-NQFXVQPCSA-N | P98170, Q13489, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 3 |
BindingDB
BindingDB:BDBM50030268
|
Local ready
Direct docking supported
|
|
E3L044667
BDB044667
|
BDBM50030269
CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)c2ccc(CN(C(=O)[C@@H]3Cc4ccccc4CN3C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)[C@H]3CCCc4ccccc43)cc2)C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C
|
C63H83N9O7 1078.413000 |
LDVMHSURAWAEBW-YUTDAYPPSA-N | P98170, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM50030269
|
Local ready
Direct docking supported
|
|
E3L044668
BDB044668
|
BDBM50030270
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(C(=O)Nc3ncc(C(=O)N[C@H]4C[C@@H](C(=O)N[C@@H]5CCCc6ccccc65)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C4)o3)ccc2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C
|
C60H79N11O9 1098.360000 |
VYZMHQWZWYAOIA-QLYDQGARSA-N | P98170, Q13489, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3 |
BindingDB
BindingDB:BDBM50030270
|
Local ready
Direct docking supported
|
|
E3L044669
BDB044669
|
BDBM50030272
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(C(=O)Nc3nc4cc(C(=O)N[C@H]5C[C@@H](C(=O)N[C@@H]6CCCc7ccccc76)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C5)ccc4s3)ccc2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C
|
C64H81N11O8S 1164.488000 |
SYZOGRWMVSXFBX-OVCCXHLHSA-N | P98170, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM50030272
|
Local ready
Direct docking supported
|
|
E3L044670
BDB044670
|
BDBM50030273
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(CCc3ccc(C(=O)N[C@H]4C[C@@H](C(=O)N[C@@H]5CCCc6ccccc65)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C4)cc3)ccc2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C
|
C64H85N9O7 1092.440000 |
MRQUIOMXZIGPPW-KHFWCYFCSA-N | P98170, Q13489, Q13490 | Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM50030273
|
Local ready
Direct docking supported
|
|
E3L044671
BDB044671
|
BDBM50030275
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(C#Cc3ccc(C(=O)N[C@H]4C[C@@H](C(=O)N[C@@H]5CCCc6ccccc65)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C4)cc3)ccc2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C
|
C64H81N9O7 1088.408000 |
MZOKCLGAIIRHDG-KHFWCYFCSA-N | P98170, Q13489, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3 |
BindingDB
BindingDB:BDBM50030275
|
Local ready
Direct docking supported
|
|
E3L044672
BDB044672
|
BDBM50030278
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(OCc3ccc(C(=O)N[C@H]4C[C@@H](C(=O)N[C@@H]5CCCc6ccccc65)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C4)cc3)ccc2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C
|
C63H83N9O8 1094.412000 |
PXWQVOUQYPMEME-NMZKVUILSA-N | P98170, Q13489, Q13490 | Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM50030278
|
Local ready
Direct docking supported
|
|
E3L044673
BDB044673
|
BDBM50030280
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(NC(=O)c3ccc(C(=O)N[C@H]4C[C@@H](C(=O)N[C@@H]5CCCc6ccccc65)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C4)cc3)ccc2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C
|
C63H82N10O8 1107.411000 |
MAKVXIUNQHYAPX-UPKUDDMJSA-N | P98170, Q13489, Q13490 | Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM50030280
|
Local ready
Direct docking supported
|
|
E3L044674
BDB044674
|
Rosiglitazone
CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
|
C18H19N3O3S 357.435000 |
YASAKCUCGLMORW-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50030474; PubChem:CID77999
|
Local ready
Direct docking supported
|
|
E3L044675
BDB044675
|
DC_05
OC(CNCCc1c[nH]c2ccccc12)Cn1c2ccccc2c2ccccc21
|
C25H25N3O 383.495000 |
LJWMTSMUQJNHOC-UHFFFAOYSA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM50031317; PubChem:CID16451230
|
Local ready
Direct docking supported
|
|
E3L044676
BDB044676
|
BDBM50031332
C=C[C@H](C#CC#C[C@@H](O)/C=C\CCCCCCC)O[C@]1(C)CCC[C@]2(C)CC[C@@H](C(C)(C)O)C[C@H]21
|
C32H50O3 482.749000 |
LEAHHMLIRIMDNS-PMKWWRLWSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50031332; PubChem:CID101889826
|
Local ready
Direct docking supported
|
|
E3L044677
BDB044677
|
BDBM50031333
C=C[C@@H](O)C#CC#C[C@H](/C=C\CCCCCCC)O[C@]1(C)CCC[C@]2(C)CC[C@@H](C(C)(C)O)C[C@H]21
|
C32H50O3 482.749000 |
DIMXKINIOMBQLP-WYNAOKPBSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50031333; PubChem:CID101889825
|
Local ready
Direct docking supported
|
|
E3L044678
BDB044678
|
BDBM50031334
C=C[C@H](C#CC#C[C@@H](O)/C=C\CCCCCCC)O[C@]1(C)CC[C@@H](O)[C@]2(C)CC[C@@H](C(C)C)[C@@H](O)[C@H]21
|
C32H50O4 498.748000 |
NASVOPQXWLOMMT-QOOSENOVSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50031334; PubChem:CID101889827
|
Local ready
Direct docking supported
|
|
E3L044679
BDB044679
|
BDBM50031335
C=C[C@@H](O)C#CC#C[C@H](/C=C\CCCCCCC)OC(=O)/C=C/c1ccc(O)c(OC)c1
|
C27H32O5 436.548000 |
OECWBZDIEAHTKW-LGDYLFJGSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50031335; PubChem:CID101889829
|
Local ready
Direct docking supported
|
|
E3L044680
BDB044680
|
BDBM50031336
C=C[C@H]1OCc2cc3cc(OC)c(O)cc3c(C#C[C@@H](O)/C=C\CCCCCCC)c21
|
C27H32O4 420.549000 |
NQXRXJUTUMEEQI-VPXVCDLISA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50031336; PubChem:CID101889828
|
Local ready
Direct docking supported
|