| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L042201
BDB042201
|
BDBM783204
C[C@@H]1CN(CC(=O)C2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCN(C(=O)Cc3ccc(CC(=O)N4CCN(C[C@H]5CN[C@H](C)CN5CC(=O)C5CC(C)(C)c6[nH]c(=O)c(Cc7ccc(F)cc7)cc65)[C@H](C)C4)cc3)C[C@H]2C)CN1
|
C70H90F2N10O6 1205.550000 |
QIUSSKZXPHOZHC-ZBCIVESYSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783204
|
Local ready
Direct docking supported
|
|
E3L042202
BDB042202
|
BDBM783205
C=C(COc1ccc(OCC(=O)N2CCN(C[C@H]3CN[C@H](C)CN3CC(=O)N3CC(C)(C)c4[nH]c(=O)c(Cc5ccc(F)cc5)cc43)[C@H](C)C2)cc1)N1CCN(C[C@H]2CN[C@H](C)CN2CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@H](C)C1
|
C69H90F2N12O7 1237.552000 |
HPBSSKDRLAYORS-IAMRINBPSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783205
|
Local ready
Direct docking supported
|
|
E3L042203
BDB042203
|
BDBM783206
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCN(C(=O)/C=C/c3ccc(/C=C/C(=O)N4CCN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6[nH]c(=O)c(Cc7ccc(F)cc7)cc65)[C@H](C)C4)cc3)C[C@H]2C)CN1
|
C70H88F2N12O6 1231.548000 |
VNNREFGNQFJBIC-ZLPBSDFOSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783206
|
Local ready
Direct docking supported
|
|
E3L042204
BDB042204
|
BDBM783207
C[C@@H]1CN(CC(=O)N2CCc3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCN(C(=O)CN(C)CC(=O)N3CCN(C[C@H]4CNCCN4CC(=O)N4CC(C)(C)c5[nH]c(=O)c(Cc6ccc(F)cc6)cc54)[C@H](C)C3)C[C@H]2C)CN1
|
C60H81F2N13O6 1118.389000 |
PNKPQEBOIPQNMH-KLHAWTAPSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783207
|
Local ready
Direct docking supported
|
|
E3L042205
BDB042205
|
BDBM783208
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCN(C(=O)c3ccc(C(=O)N4CCN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6[nH]c(=O)c(Cc7ccc(F)cc7)cc65)[C@H](C)C4)cc3)C[C@H]2C)CN1
|
C66H84F2N12O6 1179.472000 |
FTWNPMPETWHASW-OJDSDDPLSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783208
|
Local ready
Direct docking supported
|
|
E3L042206
BDB042206
|
BDBM783209
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCN(C(=O)c3cccnc3-c3ncccc3C(=O)N3CCN(C[C@H]4CN[C@H](C)CN4CC(=O)N4CC(C)(C)c5[nH]c(=O)c(Cc6ccc(F)cc6)cc54)[C@H](C)C3)C[C@H]2C)CN1
|
C70H86F2N14O6 1257.546000 |
WIRQTKRVDUMDGE-ZHSKVTLCSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783209
|
Local ready
Direct docking supported
|
|
E3L042207
BDB042207
|
BDBM783210
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCN(C(=O)c3ccc4cc(C(=O)N5CCN(C[C@H]6CN[C@H](C)CN6CC(=O)N6CC(C)(C)c7[nH]c(=O)c(Cc8ccc(F)cc8)cc76)[C@H](C)C5)ccc4c3)C[C@H]2C)CN1
|
C70H86F2N12O6 1229.532000 |
UFHFBSUJJINHJG-RSZODPCXSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783210
|
Local ready
Direct docking supported
|
|
E3L042208
BDB042208
|
BDBM783211
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCN(C(=O)c3ccc(C(=O)N4CCN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6[nH]c(=O)c(Cc7ccc(F)cc7)cc65)[C@H](C)C4)cc3)C[C@H]2C)CN1
|
C66H84F2N12O6 1179.472000 |
FTWNPMPETWHASW-OJDSDDPLSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783211
|
Local ready
Direct docking supported
|
|
E3L042209
BDB042209
|
BDBM783212
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCN(C(=O)c3ccc(/C=C/c4ccc(C(=O)N5CCN(C[C@H]6CN[C@H](C)CN6CC(=O)N6CC(C)(C)c7[nH]c(=O)c(Cc8ccc(F)cc8)cc76)[C@H](C)C5)cc4)cc3)C[C@H]2C)CN1
|
C74H90F2N12O6 1281.608000 |
LRLRYBDSZNVKPY-AHSHYTPCSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783212
|
Local ready
Direct docking supported
|
|
E3L042210
BDB042210
|
BDBM783213
C=C(CCC(=C)N1CCN(C[C@H]2CN[C@H](C)CN2CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@H](C)C1)N1CCN(C[C@H]2CN[C@H](C)CN2CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@H](C)C1
|
C64H88F2N12O4 1127.484000 |
NEFJCECEJVNOCL-DMRYDXSCSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783213
|
Local ready
Direct docking supported
|
|
E3L042211
BDB042211
|
BDBM783214
C[C@@H]1CN(CC(=O)N2CCc3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCN(C(=O)CCCC(=O)N3CCN(C[C@H]4CN[C@H](C)CN4CC(=O)N4CC(C)(C)c5[nH]c(=O)c(Cc6ccc(F)cc6)cc54)[C@H](C)C3)CC2)CN1
|
C60H80F2N12O6 1103.374000 |
QEDRDGXAXVKOML-KLHAWTAPSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783214
|
Local ready
Direct docking supported
|
|
E3L042212
BDB042212
|
BDBM783215
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCN(C(=O)c3cccc(-c4cccc(C(=O)N5CCN(C[C@H]6CN[C@H](C)CN6CC(=O)N6CC(C)(C)c7[nH]c(=O)c(Cc8ccc(F)cc8)cc76)[C@H](C)C5)c4)c3)C[C@H]2C)CN1
|
C72H88F2N12O6 1255.570000 |
RSKCPKNANAXFRW-QEVMJSBWSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783215
|
Local ready
Direct docking supported
|
|
E3L042213
BDB042213
|
BDBM783216
C[C@@H]1CN(CC(=O)N2CC(C)(C)C3=C2C=C(Cc2ccc(F)cc2)C(=O)C3)[C@@H](CN2CCN(CCCCCCCCN3CCN(C[C@H]4CN[C@H](C)CN4CC(=O)N4CC(C)(C)c5[nH]c(=O)c(Cc6ccc(F)cc6)cc54)[C@H](C)C3)C[C@H]2C)CN1
|
C67H97F2N11O4 1158.582000 |
OCWPOYNJIHTQLD-QOTBMARLSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783216
|
Local ready
Direct docking supported
|
|
E3L042214
BDB042214
|
BDBM783217
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCN(CCCCCCCCCCN3CCN(C[C@H]4CN[C@H](C)CN4CC(=O)N4CC(C)(C)c5[nH]c(=O)c(Cc6ccc(F)cc6)cc54)[C@H](C)C3)C[C@H]2C)CN1
|
C68H100F2N12O4 1187.624000 |
PHAHHSMCPVBUDF-ASYSQFDOSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783217
|
Local ready
Direct docking supported
|
|
E3L042215
BDB042215
|
BDBM783218
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CC2CCC(CCCCCCCCCCCCN3CCN(C[C@H]4CN[C@H](C)CN4CC(=O)N4CC(C)(C)c5[nH]c(=O)c(Cc6ccc(F)cc6)cc54)[C@H](C)C3)C[C@H]2C)CN1
|
C72H106F2N10O4 1213.702000 |
HMGCHLKGDXFECG-YJIHNZOISA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783218
|
Local ready
Direct docking supported
|
|
E3L042216
BDB042216
|
BDBM783219
CC1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCN(Cc3ccc(CN4CCN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6[nH]c(=O)c(Cc7ccc(F)cc7)cc65)[C@H](C)C4)cc3)C[C@H]2C)CN1
|
C66H88F2N12O4 1151.506000 |
NGCHNVYUXFBWPL-BGSKFUAFSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783219
|
Local ready
Direct docking supported
|
|
E3L042217
BDB042217
|
BDBM783220
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCN(Cc3c(F)c(F)c(CN4CCN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6[nH]c(=O)c(Cc7ccc(F)cc7)cc65)[C@H](C)C4)c(F)c3F)C[C@H]2C)CN1
|
C66H84F6N12O4 1223.466000 |
ZBXZPEGODIBTHQ-SHJBMYMDSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783220
|
Local ready
Direct docking supported
|
|
E3L042218
BDB042218
|
BDBM783221
C[C@@H]1CC(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)C(CN2CCN(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)N5CCN(C[C@H]6CN[C@H](C)CN6CC(=O)N6CC(C)(C)c7[nH]c(=O)c(Cc8ccc(F)cc8)cc76)[C@H](C)C5)cc4)cc3)C[C@H]2C)CN1
|
C71H89F2N11O8S2 1326.692000 |
ZDVFQYHYQJMGGX-HSJYHVDLSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783221
|
Local ready
Direct docking supported
|
|
E3L042219
BDB042219
|
BDBM783222
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCN(S(=O)(=O)c3ccc(Oc4ccc(S(=O)(=O)N5CCN(C[C@H]6CN[C@H](C)CN6CC(=O)N6CC(C)(C)c7[nH]c(=O)c(Cc8ccc(F)cc8)cc76)[C@H](C)C5)cc4)cc3)C[C@H]2C)CN1
|
C70H88F2N12O9S2 1343.679000 |
RZBTXXWELBYUGR-LYKJKMNLSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783222
|
Local ready
Direct docking supported
|
|
E3L042220
BDB042220
|
BDBM783223
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3c2cc(Cc2ccc(F)cc2)c(=O)n3C)C(CN2CCN(C(=O)CCCCCCCCCCCCC(=O)N3CCN(C[C@H]4CN[C@H](C)CN4CC(=O)N4CCc5c4cc(Cc4ccc(F)cc4)c(=O)n5C)[C@H](C)C3)C[C@H]2C)CN1
|
C72H104F2N12O6 1271.698000 |
DRXFAJXEOQJVJU-GHAOHPOMSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783223
|
Local ready
Direct docking supported
|