| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L000241
BDB000241
|
L-Tryptophan, L-alanyl-L-valyl-L-prolyl-
CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
|
C24H33N5O5 471.558000 |
OFKRVBJQENVJEB-DSYPUSFNSA-N | P98170, Q13489, Q13490, Q96CA5 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 7 E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM17344; PubChem:CID9549245
|
Local ready
Direct docking supported
|
|
E3L000242
BDB000242
|
BDBM17345
CN[C@@H](C)C(=O)N[C@H]1CCC[C@H]2SC(C)(C)[C@@H](C(=O)Nc3cc(C)nn3-c3ccccc3)N2C1=O
|
C25H34N6O3S 498.653000 |
RBLGKKZTMVKMNE-XIGKFDRGSA-N | P98170, Q13489, Q13490, Q96CA5 | Baculoviral IAP repeat-containing protein 7 E3 ubiquitin-protein ligase XIAP, E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM17345; PubChem:CID23647740
|
Local ready
Direct docking supported
|
|
E3L000243
BDB000243
|
BDBM17346
CN[C@@H](C)C(=O)N[C@H]1CCC[C@@H]2SC(C)(C)[C@@H](C(=O)Nc3cc(C)nn3-c3ccccc3)N2C1=O
|
C25H34N6O3S 498.653000 |
RBLGKKZTMVKMNE-BVPXEZJJSA-N | P98170, Q96CA5 | Baculoviral IAP repeat-containing protein 7 E3 ubiquitin-protein ligase XIAP, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM17346; PubChem:CID23647741
|
Local ready
Direct docking supported
|
|
E3L000244
BDB000244
|
BDBM17347
CN[C@@H](C)C(=O)N[C@H]1CCC[C@H]2SC[C@@H](C(=O)Nc3cc(C)nn3-c3ccccc3)N2C1=O
|
C23H30N6O3S 470.599000 |
YYBUDMKKCZIZQP-TXJVSEOTSA-N | P98170, Q13489, Q13490, Q96CA5 | Baculoviral IAP repeat-containing protein 7 E3 ubiquitin-protein ligase XIAP, E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 3 |
BindingDB, PubChem
BindingDB:BDBM17347; PubChem:CID23647742
|
Local ready
Direct docking supported
|
|
E3L000245
BDB000245
|
BDBM17348
CN[C@@H](C)C(=O)N[C@H]1CCC[C@@H]2SC[C@@H](C(=O)Nc3cc(C)nn3-c3ccccc3)N2C1=O
|
C23H30N6O3S 470.599000 |
YYBUDMKKCZIZQP-CAIZAGQASA-N | P98170, Q96CA5 | Baculoviral IAP repeat-containing protein 7 E3 ubiquitin-protein ligase XIAP, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM17348; PubChem:CID23647743
|
Local ready
Direct docking supported
|
|
E3L000246
BDB000246
|
Indomethacin
COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1
|
C19H16ClNO4 357.793000 |
CGIGDMFJXJATDK-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM17638; PubChem:CID3715
|
Local ready
Direct docking supported
|
|
E3L000247
BDB000247
|
BDBM17786
CN(C(=O)CC[C@@H](C1CCCCC1)N1Cc2cc(Oc3ccccc3)ccc2N=C1N)C1CCCCC1
|
C31H42N4O2 502.703000 |
JKQCQYBXDQPJNC-LJAQVGFWSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM17786; PubChem:CID16741239
|
Local ready
Direct docking supported
|
|
E3L000248
BDB000248
|
BDBM17941
CCCCNC(=O)C(CC(O)C(CC1CCCCC1)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)CS(=O)(=O)C(C)(C)C)C(C)C
|
C39H63N5O6S 730.029000 |
GGKXIITZBSPCQP-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM17941; PubChem:CID3086556
|
Local ready
Direct docking supported
|
|
E3L000249
BDB000249
|
BDBM17942
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CC(C)(C)CC(=O)N1CCCc2ccccc21
|
C25H41N3O3 431.621000 |
BVJOWZFWZASPEA-CBQOVEMMSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM17942; PubChem:CID23647855
|
Local ready
Direct docking supported
|
|
E3L000250
BDB000250
|
BDBM17943
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CC(C)(C)CC(=O)N1C[C@@H](C(=O)OC)Cc2ccccc21
|
C27H43N3O5 489.657000 |
VROPGBJWKDHPPG-ANZJIFDASA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM17943; PubChem:CID23647856
|
Local ready
Direct docking supported
|
|
E3L000251
BDB000251
|
BDBM17944
CCCCNC(=O)[C@@H](C[C@H](O)[C@@H](N)CC(C)(C)CC(=O)N1C[C@H](NC(=O)OC)Cc2ccccc21)C(C)C
|
C29H48N4O5 532.726000 |
UBIZUKGLAHGVAL-FVEXOFTDSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM17944; PubChem:CID9871731
|
Local ready
Direct docking supported
|
|
E3L000252
BDB000252
|
BDBM17945
CCCCNC(=O)[C@@H](C[C@H](O)[C@@H](N)CC(C)(C)CC(=O)N1C[C@@H](COCOC)Oc2ccccc21)C(C)C
|
C29H49N3O6 535.726000 |
QQNIINAKKJDPJB-LCXINAFSSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM17945; PubChem:CID9828582
|
Local ready
Direct docking supported
|
|
E3L000253
BDB000253
|
BDBM17946
CCCCNC(=O)[C@H](C)CC(O)[C@@H](N)C[C@H](C)COC(=O)c1cn(Cc2ccccc2)c2ccccc12
|
C30H41N3O4 507.675000 |
XZLFXZZCYRJLTI-RFIFNAJASA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM17946; PubChem:CID16214832
|
Local ready
Direct docking supported
|
|
E3L000254
BDB000254
|
BDBM17947
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@@H](C)CNC(=O)c1ccccc1OCCCOC
|
C25H43N3O5 465.635000 |
HCEVFKSMFFEYMG-WKDRNLAYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM17947; PubChem:CID10004699
|
Local ready
Direct docking supported
|
|
E3L000255
BDB000255
|
BDBM17948
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](CNC(=O)c1ccccc1OCCCOC)C(C)C
|
C27H47N3O5 493.689000 |
JYPXLSXKONMTFW-HTDNTCHWSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM17948; PubChem:CID9805752
|
Local ready
Direct docking supported
|
|
E3L000256
BDB000256
|
BDBM17949
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C
|
C27H48N2O5 480.690000 |
HMXUWQWZWZLSAO-KAMZKSLDSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM17949; PubChem:CID9982638
|
Local ready
Direct docking supported
|
|
E3L000257
BDB000257
|
Aliskiren
COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1OC
|
C30H53N3O6 551.769000 |
UXOWGYHJODZGMF-QORCZRPOSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM17950; PubChem:CID5493444
|
Local ready
Direct docking supported
|
|
E3L000258
BDB000258
|
BDBM17951
COc1ccccc1COCCCOc1ccc([C@H]2CCNC[C@H]2NCc2ccc3ccccc3c2)cc1
|
C33H38N2O3 510.678000 |
LGNBQFHEQKEZPV-ROJLCIKYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM17951; PubChem:CID11420856
|
Local ready
Direct docking supported
|
|
E3L000259
BDB000259
|
BDBM17952
COc1ccc2cc(CN[C@@H]3CNCC[C@@H]3c3ccc(OCCCOCc4ccccc4OC)cc3)ccc2c1
|
C34H40N2O4 540.704000 |
VCSOBMPHCQAWIW-CZNDPXEESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM17952; PubChem:CID23647857
|
Local ready
Direct docking supported
|
|
E3L000260
BDB000260
|
BDBM17953
COc1ccccc1COCCCOc1ccc([C@H]2CCNC[C@H]2NCc2ccc3cccnc3c2)cc1
|
C32H37N3O3 511.666000 |
MRZPMZZBDDDKAP-BVRKHOPBSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM17953; PubChem:CID23647858
|
Local ready
Direct docking supported
|