| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L043361
BDB043361
|
BDBM50006170
CC(C)C[C@@H](N[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
|
C33H56N2O5 560.820000 |
CKOVQLLOHXSFKN-PBIKNJLJSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50006170; PubChem:CID15172738
|
Local ready
Direct docking supported
|
|
E3L043362
BDB043362
|
BDBM50006171
CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(OC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
|
C35H58N2O6 602.857000 |
HLXQKYHTVOYCPH-PMUGGPHNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50006171; PubChem:CID15172805
|
Local ready
Direct docking supported
|
|
E3L043363
BDB043363
|
BDBM50006172
CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
|
C34H56N2O5 572.831000 |
LCYDVCWJFRDGLT-QEUNAIBPSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50006172; PubChem:CID15172804
|
Local ready
Direct docking supported
|
|
E3L043364
BDB043364
|
BDBM50006173
CCN(CC)C(=O)[C@H](Cc1ccccc1)O[C@@H](C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
|
C30H50N2O5 518.739000 |
HVVVVBGJNRFLMC-CPFCZLQXSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50006173; PubChem:CID15172800
|
Local ready
Direct docking supported
|
|
E3L043365
BDB043365
|
BDBM50006174
CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(SCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
|
C36H60N2O6S 648.951000 |
CPRWBTZQXQJFGK-PJRHAEEISA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50006174; PubChem:CID15172810
|
Local ready
Direct docking supported
|
|
E3L043366
BDB043366
|
BDBM50006175
CC(C)[C@H](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)NC(=O)OCc1ccccc1
|
C42H60N6O7 760.977000 |
JHHSARVJZDXJAW-LTLCPEALSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006175
|
Local ready
Direct docking supported
|
|
E3L043367
BDB043367
|
BDBM50006176
CC(C)[C@H](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)NC(=O)OCCN1CCOCC1
|
C41H65N7O8 784.012000 |
HZHLNASPNLYDJK-XYPUQJIVSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006176
|
Local ready
Direct docking supported
|
|
E3L043368
BDB043368
|
BDBM50006177
CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](NC(=O)NCCC)C(C)C
|
C40H68N4O7 717.005000 |
MUXFYXBNBZTJMZ-LTLCPEALSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006177
|
Local ready
Direct docking supported
|
|
E3L043369
BDB043369
|
BDBM50006178
CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](NS(C)(=O)=O)C(C)C
|
C37H63N3O8S 709.991000 |
MYFOCTHUUISVJA-ZZTWKDBPSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006178
|
Local ready
Direct docking supported
|
|
E3L043370
BDB043370
|
BDBM50006179
CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCCCn1ccnc1)C(C)C
|
C43H70N6O6 767.069000 |
YVBYQUBEKLSQSW-HECCNADXSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006179
|
Local ready
Direct docking supported
|
|
E3L043371
BDB043371
|
BDBM50006180
CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCCN(C)C)C(C)C
|
C41H70N4O7 731.032000 |
FPVMIRFHYRNNDJ-LQWITFIISA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006180
|
Local ready
Direct docking supported
|
|
E3L043372
BDB043372
|
BDBM50006181
CC(C)[C@H](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)NC(=O)OCCN1CCCC1
|
C41H65N7O7 768.013000 |
LFUDMWVKOQLCJI-XYPUQJIVSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006181
|
Local ready
Direct docking supported
|
|
E3L043373
BDB043373
|
BDBM50006182
CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](NC(=O)OCCN1CCCC1)C(C)C
|
C43H72N4O8 773.069000 |
JPETZYJYAGYUKG-HECCNADXSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006182
|
Local ready
Direct docking supported
|
|
E3L043374
BDB043374
|
BDBM50006183
CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](NC(=O)OCc1ccccc1)C(C)C
|
C44H67N3O8 766.033000 |
ISWAVOIAJHNXBP-LSLOANPCSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50006183; PubChem:CID14991474
|
Local ready
Direct docking supported
|
|
E3L043375
BDB043375
|
BDBM50006184
CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](NC(=O)OCCC)C(C)C
|
C40H67N3O8 717.989000 |
VSETXMDIEKZKMR-LTLCPEALSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50006184; PubChem:CID14991494
|
Local ready
Direct docking supported
|
|
E3L043376
BDB043376
|
BDBM50006185
CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCCN1CCOCC1)C(C)C
|
C43H72N4O8 773.069000 |
HWFCKWSICMSWPT-HECCNADXSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006185
|
Local ready
Direct docking supported
|
|
E3L043377
BDB043377
|
BDBM50006186
CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCCCN(C)C)C(C)C
|
C42H72N4O7 745.059000 |
FKGBRWKDSBETMV-MQDBWYGVSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006186
|
Local ready
Direct docking supported
|
|
E3L043378
BDB043378
|
BDBM50006187
CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCCCN1CCOCC1)C(C)C
|
C44H74N4O8 787.096000 |
NVMVSIUABPBQIL-LSLOANPCSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50006187; PubChem:CID9853799
|
Local ready
Direct docking supported
|
|
E3L043379
BDB043379
|
BDBM50006188
CC(C)[C@H](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)NS(=O)(=O)C(C)C
|
C37H60N6O7S 732.989000 |
VISJLGFGFKKNTI-ZTTXAYQISA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006188
|
Local ready
Direct docking supported
|
|
E3L043380
BDB043380
|
BDBM50006189
CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](NC(=O)OCCc1ccccn1)C(C)C
|
C44H68N4O8 781.048000 |
SECKIHGGZQDWLE-LSLOANPCSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006189
|
Local ready
Direct docking supported
|