| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L043481
BDB043481
|
BDBM50008121
C=CC[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@H](C(=O)C(F)(F)C(=O)NCCN1CCOCC1)C1CCCCC1
|
C34H50F2N6O8S 740.871000 |
FOXHTNDMZGBSAX-AWCRTANDSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50008121
|
Local ready
Direct docking supported
|
|
E3L043482
BDB043482
|
BDBM50008122
C=CC[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)C(F)(F)C(=O)OCC
|
C31H44F2N4O8S 670.776000 |
AEIQMTCHERRLBO-GSDHBNRESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50008122; PubChem:CID15126556
|
Local ready
Direct docking supported
|
|
E3L043483
BDB043483
|
BDBM50008123
O=C(N[C@@H](CC1CCCCC1)C(=O)C(F)(F)C(=O)NCCN1CCOCC1)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
|
C36H52F2N8O8S 794.923000 |
WTKGBRNASVNILX-CHQNGUEUSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50008123
|
Local ready
Direct docking supported
|
|
E3L043484
BDB043484
|
BDBM50008124
C=CC[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](C1CCCCC1)C(O)C(F)(F)C(=O)NCCN1CCOCC1
|
C34H52F2N6O8S 742.887000 |
WBECFFWGGMKGJK-UNVCSADESA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50008124
|
Local ready
Direct docking supported
|
|
E3L043485
BDB043485
|
BDBM50008125
COC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)C(O)C(F)(F)C(=O)NCCN1CCOCC1
|
C34H52F2N6O10S 774.885000 |
XZIVHTRFIFVIKV-YAZNYETNSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50008125
|
Local ready
Direct docking supported
|
|
E3L043486
BDB043486
|
BDBM50008126
O=C(N[C@@H](CC1CCCCC1)C(O)C(F)(F)C(=O)NCCN1CCOCC1)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
|
C36H54F2N8O8S 796.939000 |
BVPCJACDNLTJEX-WDJCGXDUSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50008126
|
Local ready
Direct docking supported
|
|
E3L043487
BDB043487
|
BDBM50008127
C=CC[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCNCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)C(F)(F)C(=O)NC[C@@H](C)CC
|
C34H52F2N6O6S 710.889000 |
ZAUCFWTWRBZAIR-JSRHHAARSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50008127
|
Local ready
Direct docking supported
|
|
E3L043488
BDB043488
|
BDBM50008128
CNC(=S)NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)C(O)C(F)(F)C(=O)NCCN1CCOCC1
|
C38H62F2N8O8S2 861.092000 |
FYHDUDNCHVCGMS-KSTJSZMBSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50008128
|
Local ready
Direct docking supported
|
|
E3L043489
BDB043489
|
BDBM50008129
C=CC[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)C(F)(F)C(=O)NCCc1ccccn1
|
C36H48F2N6O7S 746.878000 |
BNJKPFMWJCPMKT-CHQNGUEUSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50008129
|
Local ready
Direct docking supported
|
|
E3L043490
BDB043490
|
BDBM50008130
C=CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1cccnc1)C(=O)N[C@@H](CC1CCCCC1)C(O)C(F)(F)C(=O)NCCN1CCOCC1
|
C39H54F2N6O6 740.893000 |
MPZVHRBLHWRGCZ-OKCSSABNSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50008130
|
Local ready
Direct docking supported
|
|
E3L043491
BDB043491
|
BDBM50008131
C=CC[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCN(C)CC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)C(F)(F)C(=O)NCCN1CCOCC1
|
C36H55F2N7O7S 767.941000 |
YIJIVLJRFZJKEV-CHQNGUEUSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50008131
|
Local ready
Direct docking supported
|
|
E3L043492
BDB043492
|
BDBM50008132
O=C(CNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)N[C@@H](CC1CCCCC1)C(=O)C(F)(F)C(=O)NCCN1CCOCC1
|
C32H48F2N6O8S 714.833000 |
PBGQFZPURRXBDN-SVBPBHIXSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50008132; PubChem:CID15126569
|
Local ready
Direct docking supported
|
|
E3L043493
BDB043493
|
BDBM50008133
CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)C(F)(F)C(=O)NCCN1CCOCC1
|
C36H56F2N6O8S 770.941000 |
BTIJHFYMINAIMJ-CHQNGUEUSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50008133
|
Local ready
Direct docking supported
|
|
E3L043494
BDB043494
|
BDBM50008134
CCCO[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)C(F)(F)C(=O)NCCN1CCOCC1
|
C35H54F2N6O9S 772.913000 |
QUSCBNSWNRTFJQ-DWDWHFOYSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50008134
|
Local ready
Direct docking supported
|
|
E3L043495
BDB043495
|
BDBM50008135
C=CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC1CCCCC1)C(O)C(F)(F)C(=O)NCCN1CCOCC1
|
C36H55F2N5O7 707.860000 |
JLENQMDKYKTRLR-UNVCSADESA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50008135
|
Local ready
Direct docking supported
|
|
E3L043496
BDB043496
|
BDBM50008136
C=CC[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)C(=O)NCCN1CCOCC1
|
C35H46F2N6O8S 748.850000 |
QFXJBJPEYXTAPR-DTXPUJKBSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50008136
|
Local ready
Direct docking supported
|
|
E3L043497
BDB043497
|
BDBM50008137
C=CC[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCN(C)CC1)C(=O)N[C@@H](CC1CCCCC1)C(O)C(F)(F)C(=O)NCCN1CCOCC1
|
C36H57F2N7O7S 769.957000 |
PRGFSIVIFNFQPE-WDJCGXDUSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50008137
|
Local ready
Direct docking supported
|
|
E3L043498
BDB043498
|
BDBM50008138
CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)C(O)C(F)(F)C(=O)NCCN1CCOCC1
|
C36H58F2N6O8S 772.957000 |
FEPCKGBXHTYWKL-WDJCGXDUSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50008138
|
Local ready
Direct docking supported
|
|
E3L043499
BDB043499
|
BDBM50008139
C=CC[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)C(F)(F)C(=O)NCCN1CCOCC1
|
C35H52F2N6O8S 754.898000 |
MQDDTALXSBQTQP-DTXPUJKBSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50008139
|
Local ready
Direct docking supported
|
|
E3L043500
BDB043500
|
BDBM50008140
CC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)C(F)(F)C(=O)NCCN1CCOCC1
|
C34H50F2N6O9S 756.870000 |
OZJSXGYSIKZBOF-AWCRTANDSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50008140
|
Local ready
Direct docking supported
|