| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L013761
BDB013761
|
US9603889, Example 3
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(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(OC)c3)cc2)C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C
|
C62H83N9O8 1082.401000 |
MCROMBFXBQBUQE-MSMLPYSUSA-N | P98170, Q13489, Q13490 | Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM312091; PubChem:CID138106615
|
Local ready
Direct docking supported
|
|
E3L013762
BDB013762
|
US9603889, Example 4
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)c3ccc(F)cc3)cc2)C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C
|
C61H80FN9O7 1070.365000 |
VIZNQQUAZMRASA-DNDJARQFSA-N | P98170, Q13489, Q13490 | Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM312092; PubChem:CID73603551
|
Local ready
Direct docking supported
|
|
E3L013763
BDB013763
|
US9603889, Example 5
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)c3ccccc3Cl)cc2)C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C
|
C61H80ClN9O7 1086.820000 |
JUQLTUQEOXZVES-NQFXVQPCSA-N | P98170, Q13489, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3 |
BindingDB, PubChem
BindingDB:BDBM312093; PubChem:CID73603595
|
Local ready
Direct docking supported
|
|
E3L013764
BDB013764
|
US9603889, Example 6
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-ZJDZNGFLSA-N | P98170, Q13489, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3 |
BindingDB, PubChem
BindingDB:BDBM312094; PubChem:CID73603596
|
Local ready
Direct docking supported
|
|
E3L013765
BDB013765
|
US9603889, Example 7
CCC[C@H](c1ccccc1)N(Cc1ccc(C(=O)N[C@H]2C[C@@H](C(=O)N[C@@H]3CCCc4ccccc43)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C2)cc1)C(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C
|
C63H85N9O7 1080.429000 |
CXWIRGMWNKKYDO-HRRNLFNOSA-N | P98170, Q13489, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3 |
BindingDB, PubChem
BindingDB:BDBM312095; PubChem:CID73603640
|
Local ready
Direct docking supported
|
|
E3L013766
BDB013766
|
US9603889, Example 9
CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)n2ccc3cc(CN(C(=O)[C@@H]4Cc5ccccc5CN4C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)[C@@H](COC)c4ccccc4)ccc32)C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C
|
C64H84N10O8 1121.438000 |
OYWRLKDYLPPCDX-DKCQCBDISA-N | P98170, Q13489, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3 |
BindingDB, PubChem
BindingDB:BDBM312097; PubChem:CID118323245
|
Local ready
Direct docking supported
|
|
E3L013767
BDB013767
|
US9603889, Example 10
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2ccccc2C[C@H]1CN(CCc1ccccc1)C(=O)c1ccc(C(=O)N[C@H]2C[C@@H](C(=O)N[C@@H]3CCCc4ccccc43)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C2)cc1)C(C)(C)C
|
C61H81N9O7 1052.375000 |
OXYMRWGLDAHNRS-PIJVGMIXSA-N | P98170, Q13489, Q13490 | Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM312099; PubChem:CID73603685
|
Local ready
Direct docking supported
|
|
E3L013768
BDB013768
|
US9603889, Example 11
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(NC(=O)c2ccc(CN(Cc3cccc(Cl)c3Cl)C(=O)[C@@H]3Cc4ccccc4CN3C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc2)C[C@H]1C(=O)NC1CCCc2ccccc21)C(C)(C)C
|
C60H77Cl2N9O7 1107.238000 |
UFRZPIWCZFNHSK-ASCDQIFNSA-N | P98170, Q13489, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3 |
BindingDB, PubChem
BindingDB:BDBM312100; PubChem:CID138106617
|
Local ready
Direct docking supported
|
|
E3L013769
BDB013769
|
US9603889, Example 12
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(NC(=O)c2ccc(CN(CCc3ccc4ccccc4c3)C(=O)[C@@H]3Cc4ccccc4CN3C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc2)C[C@H]1C(=O)NC1CCCc2ccccc21)C(C)(C)C
|
C65H83N9O7 1102.435000 |
WFUUBVXJSSGEKN-SZKORNPESA-N | P98170, Q13489, Q13490 | Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM312101; PubChem:CID138106618
|
Local ready
Direct docking supported
|
|
E3L013770
BDB013770
|
US9603889, Example 13
CN[C@@H](C)C(=O)NC(C(=O)N1Cc2ccccc2C[C@H]1C(=O)N(Cc1ccccc1)Cc1ccc(C(=O)NC2C[C@@H](C(=O)NC3CCCc4ccccc43)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C2)cc1)C(C)(C)C
|
C60H79N9O7 1038.348000 |
SCYPULPKNVKNQH-NJPRNJCPSA-N | P98170, Q13489, Q13490 | Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM312102; PubChem:CID138106619
|
Local ready
Direct docking supported
|
|
E3L013771
BDB013771
|
US9603889, Example 14
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(NC(=O)c2ccc(CN(Cc3ccc4ccccc4c3)C(=O)[C@@H]3Cc4ccccc4CN3C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc2)C[C@H]1C(=O)NC1CCCc2ccccc21)C(C)(C)C
|
C64H81N9O7 1088.408000 |
RQSQGPVQOJIACV-APJIPKEOSA-N | P98170, Q13489, Q13490 | Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM312103; PubChem:CID138106620
|
Local ready
Direct docking supported
|
|
E3L013772
BDB013772
|
US9603889, Example 15
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(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)c3ccc4ccccc4c3)cc2)C[C@H]1C(=O)NC1CCCc2ccccc21)C(C)(C)C
|
C65H83N9O7 1102.435000 |
HGRBQHLSCJMBBG-ZTKZYTAPSA-N | P98170, Q13489, Q13490 | Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM312104; PubChem:CID138106621
|
Local ready
Direct docking supported
|
|
E3L013773
BDB013773
|
US9603889, Example 16
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCc2ccccc2[C@H]1C(=O)N(CCc1ccccc1)Cc1ccc(C(=O)NC2C[C@@H](C(=O)NC3CCCc4ccccc43)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C2)cc1)C(C)(C)C
|
C61H81N9O7 1052.375000 |
VPPOJCROUNMKKO-QOULSCCGSA-N | P98170, Q13489, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3 |
BindingDB, PubChem
BindingDB:BDBM312105; PubChem:CID138106622
|
Local ready
Direct docking supported
|
|
E3L013774
BDB013774
|
US9603889, Example 17
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2ccccc2C[C@H]1CN(C(=O)c1ccc(C(=O)N[C@H]2C[C@@H](C(=O)N[C@@H]3CCCc4ccccc43)N(C(=O)[C@@H](NC(=O)[C@@H](C)NC)C(C)(C)C)C2)cc1)[C@H](C)Cc1ccccc1F)C(C)(C)C
|
C62H82FN9O7 1084.392000 |
QCAMDWZORZRYMM-XRTXGEDASA-N | P98170, Q13489, Q13490 | Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM312106; PubChem:CID118330703
|
Local ready
Direct docking supported
|
|
E3L013775
BDB013775
|
US9603889, Example 18
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(NC(=O)c2ccc(CN(C(=O)[C@@H]3Cc4ccccc4CN3C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(C)c3cccc(Cl)c3)cc2)C[C@H]1C(=O)NC1CCCc2ccccc21)C(C)(C)C
|
C61H80ClN9O7 1086.820000 |
HQFKHRXXASCMRM-PJYHSPRCSA-N | P98170, Q13489, Q13490 | Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM312107; PubChem:CID138106623
|
Local ready
Direct docking supported
|
|
E3L013776
BDB013776
|
US9603889, Example 19
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCc2ccccc2[C@H]1C(=O)N(Cc1ccc(C(=O)NC2C[C@@H](C(=O)NC3CCCc4ccccc43)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C2)cc1)[C@H](C)c1ccccc1F)C(C)(C)C
|
C61H80FN9O7 1070.365000 |
OJMRKFRVXDLLRT-ZODIYHDXSA-N | P98170, Q13489, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3 |
BindingDB, PubChem
BindingDB:BDBM312108; PubChem:CID138106624
|
Local ready
Direct docking supported
|
|
E3L013777
BDB013777
|
US9603889, Example 20
CCC(c1ccccc1)N(Cc1ccc(C(=O)NC2C[C@@H](C(=O)NC3CCCc4ccccc43)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C2)cc1)C(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C
|
C62H83N9O7 1066.402000 |
CWBSLRMZMMYANP-FSSCPAOLSA-N | P98170, Q13489, Q13490 | Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM312109; PubChem:CID138106625
|
Local ready
Direct docking supported
|
|
E3L013778
BDB013778
|
US9603889, Example 21
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(NC(=O)c2ccc(CN(C(=O)[C@@H]3Cc4ccccc4CN3C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(C)C(c3ccccc3)c3ccccc3)cc2)C[C@H]1C(=O)NC1CCCc2ccccc21)C(C)(C)C
|
C68H87N9O7 1142.500000 |
CYHTUCVQCYTOFX-LRGHKLHQSA-N | P98170, Q13489, Q13490 | Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM312110; PubChem:CID138106626
|
Local ready
Direct docking supported
|
|
E3L013779
BDB013779
|
US9603889, Example 22
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(NC(=O)c2ccc(CN(C(=O)[C@@H]3Cc4ccccc4CN3C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C3CCCc4ccccc43)cc2)C[C@H]1C(=O)NC1CCCc2ccccc21)C(C)(C)C
|
C63H83N9O7 1078.413000 |
LDVMHSURAWAEBW-IBHSQVJQSA-N | P98170, Q13489, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3 |
BindingDB, PubChem
BindingDB:BDBM312111; PubChem:CID138106627
|
Local ready
Direct docking supported
|
|
E3L013780
BDB013780
|
US9603889, Example 23
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(NC(=O)c2ccc(CN(C(=O)[C@@H]3Cc4ccccc4CN3C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(C)c3ccccc3)cc2)C[C@H]1C(=O)NC1CCCc2ccccc21)C(C)(C)C
|
C61H81N9O7 1052.375000 |
CLXWWRLIDSQWAQ-PBDLGBDGSA-N | P98170, Q13489, Q13490 | Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM312112; PubChem:CID138106628
|
Local ready
Direct docking supported
|