| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L042221
BDB042221
|
BDBM783224
C[C@@H]1CN(CC(=O)C2CC(C)(C)c3c2cc(Cc2ccc(F)cc2)c(=O)n3C)[C@@H](CC2CCC(C(=O)CCCCC(=O)N3CCN(C[C@H]4CN[C@H](C)CN4CC(=O)N4CC(C)(C)c5c4cc(Cc4ccc(F)cc4)c(=O)n5C)[C@H](C)C3)CC2)CN1
|
C68H93F2N9O6 1170.545000 |
DEKODQXISLRJIX-GZDCBZLCSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783224
|
Local ready
Direct docking supported
|
|
E3L042222
BDB042222
|
BDBM783225
C[C@@H]1CN(CC(=O)C2CC(C)(C)c3c2cc(Cc2ccc(F)cc2)c(=O)n3C)[C@@H](CN2CCN(C(=O)CCCCC(=O)N3CCN(C[C@H]4CN[C@H](C)CN4CC(=O)N4CC(C)(C)c5c4cc(Cc4ccc(F)cc4)c(=O)n5C)[C@H](C)C3)C[C@H]2C)CN1
|
C67H93F2N11O6 1186.548000 |
GHZIBARSARDGHF-MGCGJERMSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783225
|
Local ready
Direct docking supported
|
|
E3L042223
BDB042223
|
BDBM783226
CC1C(=O)C(Cc2ccc(F)cc2)=CC2=C1C(C)(C)CN2C(=O)CN1C[C@@H](C)NC[C@@H]1CN1CCN(C(=O)CCCCCCCCC(=O)N2CCN(C[C@H]3CC[C@H](C)CN3CC(=O)N3CC(C)(C)c4c3cc(Cc3ccc(F)cc3)c(=O)n4C)[C@H](C)C2)C[C@H]1C
|
C72H102F2N10O6 1241.668000 |
GOWALENQAGTRIY-XIHFRMFVSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783226
|
Local ready
Direct docking supported
|
|
E3L042224
BDB042224
|
BDBM783227
C[C@@H]1CN(CC(=O)N2CCc3ncc(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCN(C(=O)c3cccc(C(=O)N4CCN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6ncc(Cc7ccc(F)cc7)cc65)[C@H](C)C4)c3)C[C@H]2C)CN1
|
C64H80F2N12O4 1119.420000 |
RETSKSZXHIYFRU-VXTWSFECSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783227
|
Local ready
Direct docking supported
|
|
E3L042225
BDB042225
|
BDBM783228
C[C@@H]1CN(CCN2CC(C)(C)c3ncc(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCC(S(=O)(=O)c3cccc(S(=O)(=O)N4CCN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6ncc(Cc7ccc(F)cc7)cc65)[C@H](C)C4)c3)C[C@H]2C)CN1
|
C65H87F2N11O5S2 1204.613000 |
VAYFBBCLUXQYSL-GJCIXXLASA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783228
|
Local ready
Direct docking supported
|
|
E3L042226
BDB042226
|
BDBM783229
C=C(CCCCCC[C@H]1CCCN(C[C@H]2CN[C@H](C)CN2CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)C1)C[C@H]1CCCN(C[C@H]2CN[C@H](C)CN2CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)C1
|
C67H94F2N10O4 1141.551000 |
XANCHILEUBYBCO-AARYNELWSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783229
|
Local ready
Direct docking supported
|
|
E3L042227
BDB042227
|
BDBM783230
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCC[C@H](CC(=O)CCCCCCC(=O)N[C@H]3CCCN(C[C@H]4CN[C@H](C)CN4CC(=O)N4CC(C)(C)c5[nH]c(=O)c(Cc6ccc(F)cc6)cc54)C3)C2)CN1
|
C67H93F2N11O6 1186.548000 |
MIUVSTHIXLFMQU-BCBYRNJLSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783230
|
Local ready
Direct docking supported
|
|
E3L042228
BDB042228
|
BDBM783231
C[C@@H]1CN(CC(=O)C2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCC[C@H](NC(=O)CCCCCCCCC(=O)N[C@H]3CCCN(C[C@H]4CN[C@H](C)CN4CC(=O)N4CCc5[nH]c(=O)c(Cc6ccc(F)cc6)cc54)C3)C2)CN1
|
C67H93F2N11O6 1186.548000 |
ZQDDEVPKVGECEK-CNHVREGSSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783231
|
Local ready
Direct docking supported
|
|
E3L042229
BDB042229
|
BDBM783232
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCC[C@H](CC(=O)CCCCCCCCCCCCC(=O)N[C@H]3CCCN(C[C@H]4CN[C@H](C)CN4CC(=O)N4CC(C)(C)c5[nH]c(=O)c(Cc6ccc(F)cc6)cc54)C3)C2)CN1
|
C73H105F2N11O6 1270.710000 |
CTXQEISTEBTERC-LKUHPCAYSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783232
|
Local ready
Direct docking supported
|
|
E3L042230
BDB042230
|
BDBM783233
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCC[C@H](NC(=O)Cc3cccc(CC(=O)N[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)c3)C2)CN1
|
C67H86F2N12O7 1209.498000 |
CQULIZFNYHNZFR-PZBIBFSZSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783233
|
Local ready
Direct docking supported
|
|
E3L042231
BDB042231
|
BDBM783234
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCC[C@H](NC(=O)Cc3ccc(CC(=O)N[C@H]4CCCN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6[nH]c(=O)c(Cc7ccc(F)cc7)cc65)C4)cc3)C2)CN1
|
C68H88F2N12O6 1207.526000 |
CKWIDRQYHYODIK-YKHWROMPSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783234
|
Local ready
Direct docking supported
|
|
E3L042232
BDB042232
|
BDBM783235
C=C(CN1C[C@@H](C)NC[C@@H]1CN1CCC[C@@H](NC(=O)CCCCC(=O)N[C@@H]2CCCN(C[C@H]3CN[C@H](C)CN3CC(=C)N3CC(C)(C)c4[nH]c(=O)c(Cc5ccc(F)cc5)cc43)C2)C1)N1CC(C)(C)c2[nH]c(=O)c(Cc3ccc(F)cc3)cc21
|
C66H92F2N12O4 1155.538000 |
RGOGQGDNEHMKNG-HLTMNDHKSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783235
|
Local ready
Direct docking supported
|
|
E3L042233
BDB042233
|
BDBM783236
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCC[C@@H](NC(=O)CCCCCCC(=O)N[C@@H]3CCCN(C[C@H]4CN[C@H](C)CN4CC(=O)N4CC(C)(C)c5[nH]c(=O)c(Cc6ccc(F)cc6)cc54)C3)C2)CN1
|
C66H92F2N12O6 1187.536000 |
RFJZJIIWUBPUSX-GKNJJPILSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783236
|
Local ready
Direct docking supported
|
|
E3L042234
BDB042234
|
BDBM783237
C[C@@H]1CN(CC(=O)C2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCCC(NC(=O)CCCCCCCCC(=O)N[C@@H]3CCCN(C[C@H]4CN[C@H](C)CN4CC(=O)N4CCc5[nH]c(=O)c(Cc6ccc(F)cc6)cc54)C3)C2)CN1
|
C67H93F2N11O6 1186.548000 |
ZQDDEVPKVGECEK-SAPNICEVSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783237
|
Local ready
Direct docking supported
|
|
E3L042235
BDB042235
|
BDBM783238
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCC[C@@H](NC(=O)CCCCCCCCCCCCC(=O)N[C@@H]3CCCN(C[C@H]4CN[C@H](C)CN4CC(=O)N4CC(C)(C)c5[nH]c(=O)c(Cc6ccc(F)cc6)cc54)C3)C2)CN1
|
C72H104F2N12O6 1271.698000 |
DHPXGOTUUTUWME-KFBUYLCSSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783238
|
Local ready
Direct docking supported
|
|
E3L042236
BDB042236
|
BDBM783239
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCC[C@@H](CC(=O)Cc3cccc(CC(=O)N[C@@H]4CCCN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6[nH]c(=O)c(Cc7ccc(F)cc7)cc65)C4)c3)C2)CN1
|
C69H89F2N11O6 1206.538000 |
IVFGZEYVHFSLJH-BMDPNJQLSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783239
|
Local ready
Direct docking supported
|
|
E3L042237
BDB042237
|
BDBM783240
Cc1ccc(Cc2cc3c([nH]c2=O)C(C)(C)CN3C(=O)CN2C[C@@H](C)NC[C@@H]2CN2CCC[C@@H](NC(=O)Cc3ccc(CC(=O)N[C@@H]4CCCN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6[nH]c(=O)c(Cc7ccc(F)cc7)cc65)C4)cc3)C2)cc1
|
C69H91FN12O6 1203.563000 |
YYRUJTJQHANLFF-CYISZNOPSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783240
|
Local ready
Direct docking supported
|
|
E3L042238
BDB042238
|
BDBM783241
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCO[C@H](CCCc3ccccc3CCC[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
|
C68H90F2N10O6 1181.528000 |
QLZLEKJWZMKGLP-GYBDVYIESA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783241
|
Local ready
Direct docking supported
|
|
E3L042239
BDB042239
|
BDBM783242
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCO[C@H](COc3ccc(-c4ccc(OC[C@@H]5CN(C[C@H]6CN[C@H](C)CN6CC(=O)N6CC(C)(C)c7[nH]c(=O)c(Cc8ccc(F)cc8)cc76)CCO5)cc4)cc3)C2)CN1
|
C70H86F2N10O8 1233.516000 |
SJMMIIMNORSKQU-QJWHFQBBSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783242
|
Local ready
Direct docking supported
|
|
E3L042240
BDB042240
|
BDBM783243
C[C@@H]1CN(CC(=O)N2CCc3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCO[C@H](COc3cccc(-c4cccc(OC[C@@H]5CN(C[C@H]6CN[C@@H](C)CN6CC(=O)N6CC(C)(C)c7[nH]c(=O)c(Cc8ccc(F)cc8)cc76)CCO5)c4)c3)C2)CN1
|
C68H82F2N10O8 1205.462000 |
YDMBNDPJFUHPNI-FFWHCOHESA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783243
|
Local ready
Direct docking supported
|