| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L042261
BDB042261
|
BDBM783264
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCO[C@H](COc3cccc(OC[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)c3F)C2)CN1
|
C64H81F3N10O8 1175.408000 |
BXJNOTXUTVPAOA-DKDGEOGESA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783264
|
Local ready
Direct docking supported
|
|
E3L042262
BDB042262
|
BDBM783265
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCO[C@H](COc3cc(F)cc(OC[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
|
C64H81F3N10O8 1175.408000 |
SDZIYSRRRZJHSH-SFDAQCDUSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783265
|
Local ready
Direct docking supported
|
|
E3L042263
BDB042263
|
BDBM783266
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCO[C@H](COc3ccc(F)c(OC[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)c3F)C2)CN1
|
C64H80F4N10O8 1193.398000 |
NDICMQLWZWIRAQ-RDVZOEBNSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783266
|
Local ready
Direct docking supported
|
|
E3L042264
BDB042264
|
BDBM783267
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCO[C@H](COc3ccc(F)c(OC[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
|
C64H81F3N10O8 1175.408000 |
SCEOOUDFQGXHJI-LUSMSLSNSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783267
|
Local ready
Direct docking supported
|
|
E3L042265
BDB042265
|
BDBM783268
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCO[C@H](COc3cc(C#N)cc(OC[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
|
C65H81F2N11O8 1182.428000 |
JCVHHNXHTOUAGW-QJQNQQGTSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783268
|
Local ready
Direct docking supported
|
|
E3L042266
BDB042266
|
BDBM783269
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCO[C@H](COc3ccc(C#N)c(OC[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
|
C65H81F2N11O8 1182.428000 |
PHMNVOXPEBBZTO-LJVWJQEOSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783269
|
Local ready
Direct docking supported
|
|
E3L042267
BDB042267
|
BDBM783270
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCO[C@H](COc3ccc(-c4ccccc4)c(OC[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
|
C70H86F2N10O8 1233.516000 |
IKQRGYNDHOCEPQ-JHAIKOSGSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783270
|
Local ready
Direct docking supported
|
|
E3L042268
BDB042268
|
BDBM783271
Cc1c(OC[C@@H]2CN(C[C@H]3CN[C@H](C)CN3CC(=O)N3CC(C)(C)c4[nH]c(=O)c(Cc5ccc(F)cc5)cc43)CCO2)cccc1OC[C@@H]1CN(C[C@H]2CN[C@H](C)CN2CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)CCO1
|
C65H84F2N10O8 1171.445000 |
DEZDBOCYFFLXDD-ROWAATGXSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783271
|
Local ready
Direct docking supported
|
|
E3L042269
BDB042269
|
BDBM783272
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCO[C@H](COCc3cccc(COC[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
|
C66H86F2N10O8 1185.472000 |
UFFMBKKYVBCBNA-LFOLSHCZSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783272
|
Local ready
Direct docking supported
|
|
E3L042270
BDB042270
|
BDBM783273
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCO[C@H](COCCCCOC[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
|
C62H86F2N10O8 1137.428000 |
HNNQKZCYDVGGMV-JNADRZSVSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783273
|
Local ready
Direct docking supported
|
|
E3L042271
BDB042271
|
BDBM783274
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCO[C@H](COCCCCCOC[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
|
C63H88F2N10O8 1151.455000 |
XPPSEIXJBAWAOI-WADSCLPCSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783274
|
Local ready
Direct docking supported
|
|
E3L042272
BDB042272
|
BDBM783275
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCO[C@H](COCCOCCOC[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
|
C62H86F2N10O9 1153.427000 |
QRVCGJWSFFDAPT-JNADRZSVSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783275
|
Local ready
Direct docking supported
|
|
E3L042273
BDB042273
|
BDBM783276
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCO[C@H](COCc3cccc(COC[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)n3)C2)CN1
|
C65H85F2N11O8 1186.460000 |
LJUIMXKMJHTWQX-JHWDUGCYSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783276
|
Local ready
Direct docking supported
|
|
E3L042274
BDB042274
|
BDBM783277
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCO[C@H](COCc3c(F)c(F)c(COC[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)c(F)c3F)C2)CN1
|
C66H82F6N10O8 1257.432000 |
XQHHZHPHVXJIQL-RDVZOEBNSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783277
|
Local ready
Direct docking supported
|
|
E3L042275
BDB042275
|
BDBM783278
Cc1cc(OC[C@@H]2CN(C[C@H]3CN[C@H](C)CN3CC(=O)N3CC(C)(C)c4[nH]c(=O)c(Cc5ccc(F)cc5)cc43)CCO2)cc(OC[C@@H]2CN(C[C@H]3CN[C@H](C)CN3CC(=O)N3CC(C)(C)c4[nH]c(=O)c(Cc5ccc(F)cc5)cc43)CCO2)c1
|
C65H84F2N10O8 1171.445000 |
DCCKHDGXWFCIQA-ZAMQAMGFSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783278
|
Local ready
Direct docking supported
|
|
E3L042276
BDB042276
|
BDBM783279
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCO[C@H](COc3cccc(OC[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)c3Br)C2)CN1
|
C64H81BrF2N10O8 1236.314000 |
FEOQMFDTJIBXJN-DKDGEOGESA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783279
|
Local ready
Direct docking supported
|
|
E3L042277
BDB042277
|
BDBM783280
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCO[C@H](COc3cccc(OC[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)c3Cl)C2)CN1
|
C64H81ClF2N10O8 1191.863000 |
YVIMOZWIAFZLBI-DKDGEOGESA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783280
|
Local ready
Direct docking supported
|
|
E3L042278
BDB042278
|
BDBM783281
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCO[C@H](COc3ccc(Cl)c(OC[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
|
C64H81ClF2N10O8 1191.863000 |
CGENKNOJIOMSFX-LUSMSLSNSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783281
|
Local ready
Direct docking supported
|
|
E3L042279
BDB042279
|
BDBM783282
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)OCCCCCCNC(=P)[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
|
C64H88F2N11O8P 1208.447000 |
WUBVVXIEBKLDSK-AEZFHRCYSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783282
|
Local ready
Direct docking supported
|
|
E3L042280
BDB042280
|
BDBM783283
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-HJIFXQICSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783283
|
Local ready
Direct docking supported
|