| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L055221
BDB055221
|
BDBM50405496
CC(C)CNC(=O)[C@](O)(CN=[N+]=[N-])C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C37H57N9O7 739.919000 |
KZMPTUHLGLXWJS-QTFZJSDKSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50405496
|
Local ready
Direct docking supported
|
|
E3L055222
BDB055222
|
BDBM50405497
CC(C)CNC(=O)[C@](O)(CCl)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C37H57ClN6O7 733.351000 |
QFNLXDJMTVIEPJ-QTFZJSDKSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50405497
|
Local ready
Direct docking supported
|
|
E3L055223
BDB055223
|
BDBM50405498
CC(C)CNC(=O)[C@](O)(CN)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C37H59N7O7 713.921000 |
LWGNWBAQJGRCGM-QTFZJSDKSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50405498
|
Local ready
Direct docking supported
|
|
E3L055224
BDB055224
|
Ac-Pro-Phe-His-Nva(Ph)-Ile-His-Lys-Me
CC[C@H](C)[C@H](NC(=O)[C@H](CCCc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(C)=O
|
C52H72N12O8 993.224000 |
POHGLEAKXVIJCA-VZMLCZHDSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50405542; PubChem:CID70689886
|
Local ready
Direct docking supported
|
|
E3L055225
BDB055225
|
H-Pro-His-Pro-Phe-His-D-Nva(Ph)(Ph)-Val-Tyr-Lys-NH2
CC(C)[C@H](NC(=O)[C@@H](CCCc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(N)=O
|
C62H83N15O10 1198.441000 |
SLPHEEIIYGXLQD-LVBJKYAUSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50405543; PubChem:CID70694090
|
Local ready
Direct docking supported
|
|
E3L055226
BDB055226
|
H-Pro-His-Pro-Phe-His-Nva(Ph)-Ile-His-Lys-Me
CC[C@H](C)[C@H](NC(=O)[C@H](CCCc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(C)=O
|
C61H84N16O9 1185.446000 |
HDJDONYPPZIQLA-YONABWIWSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50405544; PubChem:CID70685711
|
Local ready
Direct docking supported
|
|
E3L055227
BDB055227
|
BDBM50405545
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](O)CSC1CCCCC1
|
C33H51N5O5S 629.868000 |
UNAFQCIXSQAJHJ-DZUOILHNSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50405545
|
Local ready
Direct docking supported
|
|
E3L055228
BDB055228
|
BDBM50405619
O=C(O)[C@H]1CCC[C@H]1C(=O)N1CCc2c(O)cccc2[C@H]1CN1C(=O)c2ccccc2C1=O
|
C25H24N2O6 448.475000 |
BGKNODSVVKCLBP-HSALFYBXSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50405619; PubChem:CID171356791
|
Local ready
Direct docking supported
|
|
E3L055229
BDB055229
|
BDBM50405638
CC(C)C[C@H](O)[C@@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C34H53N5O6 627.827000 |
RRTBHYJKYDWRDY-IIZANFQQSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50405638
|
Local ready
Direct docking supported
|
|
E3L055230
BDB055230
|
BDBM50405639
CC(C)C[C@@H](O)[C@@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C34H53N5O6 627.827000 |
RRTBHYJKYDWRDY-MYSYHGOYSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50405639
|
Local ready
Direct docking supported
|
|
E3L055231
BDB055231
|
BDBM50406087
C=C(C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCC(C)C
|
C35H57N3O6 615.856000 |
KMIWCPRVDHQNGQ-HEPRJOMSSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50406087
|
Local ready
Direct docking supported
|
|
E3L055232
BDB055232
|
BDBM50406088
C=C(C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCC(C)C
|
C35H57N3O6 615.856000 |
KMIWCPRVDHQNGQ-ZRWAQKTFSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50406088
|
Local ready
Direct docking supported
|
|
E3L055233
BDB055233
|
BDBM50406089
C=CCCC[C@@H](C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=C)C(=O)NCC(C)C
|
C39H63N3O6 669.948000 |
GNTAPYLRFCZUSK-PRTBYXSSSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50406089; PubChem:CID71450829
|
Local ready
Direct docking supported
|
|
E3L055234
BDB055234
|
BDBM50406090
C=CCCC[C@H](C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=C)C(=O)NCC(C)C
|
C39H63N3O6 669.948000 |
GNTAPYLRFCZUSK-CZBYKCICSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50406090; PubChem:CID71458023
|
Local ready
Direct docking supported
|
|
E3L055235
BDB055235
|
BDBM50406091
C=C(C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cn1ccnn1)C(=O)NCC(C)C
|
C37H58N6O6 682.907000 |
WLLJVCVJFOWQFW-PMUGGPHNSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50406091
|
Local ready
Direct docking supported
|
|
E3L055236
BDB055236
|
BDBM50406092
C=C(C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cn1ccnn1)C(=O)NCC(C)C
|
C37H58N6O6 682.907000 |
WLLJVCVJFOWQFW-ZTTXAYQISA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50406092
|
Local ready
Direct docking supported
|
|
E3L055237
BDB055237
|
BDBM50406108
CC(C)OC(=O)[C@H](O)[C@@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc12
|
C38H51N5O7 689.854000 |
NQXSBCTYTMQGGJ-IYGIBWMDSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50406108
|
Local ready
Direct docking supported
|
|
E3L055238
BDB055238
|
BDBM50406109
CC(C)OC(=O)[C@@H](O)[C@@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc12
|
C38H51N5O7 689.854000 |
NQXSBCTYTMQGGJ-BSRAHXRFSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50406109
|
Local ready
Direct docking supported
|
|
E3L055239
BDB055239
|
BDBM50406365
CC[C@@H](C)CNC(=O)[C@@H](CC(O)[C@H](CC(C)C)NC(=O)C(C(=O)COc1ccccc1)C(O)C(=O)O)C(C)C
|
C29H46N2O8 550.693000 |
QQRPUGYROVYTCC-ARLUFAQCSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50406365; PubChem:CID44276611
|
Local ready
Direct docking supported
|
|
E3L055240
BDB055240
|
BDBM50406395
CON1C[C@@H]([C@H](O)[C@@H](CC2CCCCC2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)OC1=O
|
C33H48N6O8 656.781000 |
PKTPYJKZNRWOPT-VNGQLYDISA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50406395
|
Local ready
Direct docking supported
|