| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L042281
BDB042281
|
BDBM783284
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCO[C@H](C(=O)N[C@H]3CC[C@H](NC(=O)[C@@H]4CN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6[nH]c(=O)c(Cc7ccc(F)cc7)cc65)CCO4)CC3)C2)CN1
|
C64H86F2N12O8 1189.464000 |
NTHJNZUIJCNAHJ-HCCOZUISSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783284
|
Local ready
Direct docking supported
|
|
E3L042282
BDB042282
|
BDBM783285
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCO[C@H](C(=O)NCC#CC#CCNC(=O)[C@@H]3CN(C[C@H]4CN[C@H](C)CN4CC(=O)N4CC(C)(C)c5[nH]c(=O)c(Cc6ccc(F)cc6)cc54)CCO3)C2)CN1
|
C64H80F2N12O8 1183.416000 |
NSZSGLQXXBIEDZ-AEZFHRCYSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783285
|
Local ready
Direct docking supported
|
|
E3L042283
BDB042283
|
BDBM783286
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCC(CCCC3CCN(C[C@H]4CN[C@H](C)CN4CC(=O)N4CC(C)(C)c5[nH]c(=O)c(Cc6ccc(F)cc6)cc54)CC3)CC2)CN1
|
C61H84F2N10O4 1059.405000 |
WIJHEGBFHICBBP-GJYOXJBJSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783286
|
Local ready
Direct docking supported
|
|
E3L042284
BDB042284
|
BDBM783287
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCC(CN(C)C(=O)c3cccc(C(=O)N(C)CC4CCN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6[nH]c(=O)c(Cc7ccc(F)cc7)cc65)CC4)c3)CC2)CN1
|
C70H92F2N12O6 1235.580000 |
NSEUKRJPWQJSBW-LGOYPCCLSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783287
|
Local ready
Direct docking supported
|
|
E3L042285
BDB042285
|
BDBM783288
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCC(CN(C)C(=O)c3ccc(C(=O)N(C)CC4CCN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6[nH]c(=O)c(Cc7ccc(F)cc7)cc65)CC4)cc3)CC2)CN1
|
C70H92F2N12O6 1235.580000 |
UTQOCDGVHMBVOO-LGOYPCCLSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783288
|
Local ready
Direct docking supported
|
|
E3L042286
BDB042286
|
BDBM783289
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCC(CN(C)C(=O)Cc3ccc(C(=O)N(C)CC4CCN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6[nH]c(=O)c(Cc7ccc(F)cc7)cc65)CC4)cc3)CC2)CN1
|
C71H94F2N12O6 1249.607000 |
ZLSLXBWSJRLSTC-XZFFYEDRSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783289
|
Local ready
Direct docking supported
|
|
E3L042287
BDB042287
|
BDBM783290
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCC(CN(C)C(=O)Cc3cccc(C(=O)N(C)CC4CCN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6[nH]c(=O)c(Cc7ccc(F)cc7)cc65)CC4)c3)CC2)CN1
|
C71H94F2N12O6 1249.607000 |
XMIXGPPYRUYYAH-XZFFYEDRSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783290
|
Local ready
Direct docking supported
|
|
E3L042288
BDB042288
|
BDBM783291
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCC(CN(C)C(=O)Cc3ccc(CC(=O)N(C)CC4CCN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6[nH]c(=O)c(Cc7ccc(F)cc7)cc65)CC4)cc3)CC2)CN1
|
C72H96F2N12O6 1263.634000 |
YAXOMMVLTBGFSG-SHCJQINQSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783291
|
Local ready
Direct docking supported
|
|
E3L042289
BDB042289
|
BDBM783292
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCC(CN(C)Cc3ccc(CN(C)CC4CCN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6[nH]c(=O)c(Cc7ccc(F)cc7)cc65)CC4)cc3)CC2)CN1
|
C70H96F2N12O4 1207.614000 |
ALTYAOOJIAHVSY-SHCJQINQSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783292
|
Local ready
Direct docking supported
|
|
E3L042290
BDB042290
|
BDBM783293
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCC(CNC(=O)c3ccc(C(=O)NCC4CCN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6[nH]c(=O)c(Cc7ccc(F)cc7)cc65)CC4)cc3)CC2)CN1
|
C68H88F2N12O6 1207.526000 |
ZVMYIVXIFUQIKL-MJQWJGMHSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783293
|
Local ready
Direct docking supported
|
|
E3L042291
BDB042291
|
BDBM783294
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCC(CNC(=O)Cc3ccc(CC(=O)NCC4CCN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6[nH]c(=O)c(Cc7ccc(F)cc7)cc65)CC4)cc3)CC2)CN1
|
C70H92F2N12O6 1235.580000 |
OZPYMCZSAXSADS-LGOYPCCLSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783294
|
Local ready
Direct docking supported
|
|
E3L042292
BDB042292
|
BDBM783295
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCC(CCNC(=O)c3ccc(C(=O)NCCC4CCN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6[nH]c(=O)c(Cc7ccc(F)cc7)cc65)CC4)cc3)CC2)CN1
|
C70H92F2N12O6 1235.580000 |
SRAMQAQKHPYBIT-LGOYPCCLSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783295
|
Local ready
Direct docking supported
|
|
E3L042293
BDB042293
|
BDBM783296
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCC(CCN(C)C(=O)c3ccc(C(=O)N(C)CCC4CCN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6[nH]c(=O)c(Cc7ccc(F)cc7)cc65)CC4)cc3)CC2)CN1
|
C72H96F2N12O6 1263.634000 |
TUFAERDDNNQAIX-SHCJQINQSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783296
|
Local ready
Direct docking supported
|
|
E3L042294
BDB042294
|
BDBM783297
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCC(CC(=O)NCc3ccc(CNC(=O)CC4CCN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6[nH]c(=O)c(Cc7ccc(F)cc7)cc65)CC4)cc3)CC2)CN1
|
C70H92F2N12O6 1235.580000 |
AQYZQNSXTYWHPV-LGOYPCCLSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783297
|
Local ready
Direct docking supported
|
|
E3L042295
BDB042295
|
BDBM783298
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCC(CC(=O)N(C)Cc3ccc(CN(C)C(=O)CC4CCN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6[nH]c(=O)c(Cc7ccc(F)cc7)cc65)CC4)cc3)CC2)CN1
|
C72H96F2N12O6 1263.634000 |
CXZRCOUPYRFNKL-SHCJQINQSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783298
|
Local ready
Direct docking supported
|
|
E3L042296
BDB042296
|
BDBM783299
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCC(COc3cccc(OCC4CCN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6[nH]c(=O)c(Cc7ccc(F)cc7)cc65)CC4)c3)CC2)CN1
|
C66H86F2N10O6 1153.474000 |
HGRHVARSRKKSKF-FABGGRAHSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783299
|
Local ready
Direct docking supported
|
|
E3L042297
BDB042297
|
BDBM783300
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCC(CCOc3cccc(OCCC4CCN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6[nH]c(=O)c(Cc7ccc(F)cc7)cc65)CC4)c3)CC2)CN1
|
C68H90F2N10O6 1181.528000 |
WJMYREDTMCLYLK-GLKOVGIMSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783300
|
Local ready
Direct docking supported
|
|
E3L042298
BDB042298
|
BDBM783301
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCC(CCCOc3cccc(OCCCC4CCN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6[nH]c(=O)c(Cc7ccc(F)cc7)cc65)CC4)c3)CC2)CN1
|
C70H94F2N10O6 1209.582000 |
MDIXMMKULNHLEE-MEYIDPLNSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783301
|
Local ready
Direct docking supported
|
|
E3L042299
BDB042299
|
BDBM783302
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCC(C(F)(F)COc3cccc(OCC(F)(F)C4CCN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6[nH]c(=O)c(Cc7ccc(F)cc7)cc65)CC4)c3)CC2)CN1
|
C68H86F6N10O6 1253.488000 |
IJQFUMRIFLVQLS-FABGGRAHSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783302
|
Local ready
Direct docking supported
|
|
E3L042300
BDB042300
|
BDBM783303
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCO[C@@H](C(=O)NCc3ccc(CNC(=O)[C@H]4CN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6[nH]c(=O)c(Cc7ccc(F)cc7)cc65)CCO4)cc3)C2)CN1
|
C66H84F2N12O8 1211.470000 |
PKWPITDONSHTTD-MTOVXQHZSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783303
|
Local ready
Direct docking supported
|