| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L050881
BDB050881
|
BDBM50281221
CCCCNS(=O)(=O)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(C)=O
|
C17H34N2O5S 378.535000 |
WJWATDVRWIHUJM-YESZJQIVSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50281221; PubChem:CID44325330
|
Local ready
Direct docking supported
|
|
E3L050882
BDB050882
|
BDBM50281222
CCCCNS(=O)(=O)C[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1ccccc1
|
C30H47N5O6S 605.802000 |
VKIYJLZLTJGKEQ-YJIPECKFSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50281222; PubChem:CID44325120
|
Local ready
Direct docking supported
|
|
E3L050883
BDB050883
|
BDBM50281223
CCCCNS(=O)(=O)C[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NCCCC(C)C
|
C21H44N2O4S 420.660000 |
DXPCCBQTUUWERI-PWRODBHTSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50281223; PubChem:CID44324883
|
Local ready
Direct docking supported
|
|
E3L050884
BDB050884
|
BDBM50281224
CCCCNS(=O)(=O)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)CCC(C)C
|
C21H42N2O5S 434.643000 |
UYOSYPDOUYWOBG-IRFCIJBXSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50281224; PubChem:CID44325314
|
Local ready
Direct docking supported
|
|
E3L050885
BDB050885
|
BDBM50281225
CCCCNS(=O)(=O)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](N)CC(C)C
|
C21H43N3O5S 449.658000 |
UITJOPHEDMDEKF-LWYYNNOASA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50281225; PubChem:CID44325308
|
Local ready
Direct docking supported
|
|
E3L050886
BDB050886
|
BDBM50281226
CCCCNS(=O)(=O)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)CS(=O)(=O)C(C)(C)C
|
C35H57N5O8S2 740.002000 |
ZIMBBOOTTYBWFG-QMVABORWSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50281226
|
Local ready
Direct docking supported
|
|
E3L050887
BDB050887
|
BDBM50281227
CCCCNS(=O)(=O)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NCCCC(C)C
|
C21H44N2O4S 420.660000 |
DXPCCBQTUUWERI-PCCBWWKXSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50281227; PubChem:CID44325315
|
Local ready
Direct docking supported
|
|
E3L050888
BDB050888
|
BDBM50281228
CCCCNS(=O)(=O)C[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)CCC(C)C
|
C21H42N2O5S 434.643000 |
UYOSYPDOUYWOBG-QKNQBKEWSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50281228; PubChem:CID44325127
|
Local ready
Direct docking supported
|
|
E3L050889
BDB050889
|
BDBM50281229
CCCCNS(=O)(=O)C[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2ccccc2[nH]1
|
C30H44N6O6S 616.785000 |
MNLZKJAZLIMKNX-GDWZEYGFSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50281229; PubChem:CID44325110
|
Local ready
Direct docking supported
|
|
E3L050890
BDB050890
|
BDBM50281230
CCCCNS(=O)(=O)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)CCc1cnc[nH]1
|
C21H38N4O5S 458.625000 |
CWQIVKZLBLXURD-IRFCIJBXSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50281230; PubChem:CID44325167
|
Local ready
Direct docking supported
|
|
E3L050891
BDB050891
|
BDBM50281231
CCCCNS(=O)(=O)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)CS(=O)(=O)C(C)(C)C
|
C35H61N3O8S2 716.020000 |
DLNPATKBSHFANQ-GCIGRYLYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50281231; PubChem:CID44325178
|
Local ready
Direct docking supported
|
|
E3L050892
BDB050892
|
BDBM50281232
CCCCNS(=O)(=O)C[C@H](O)[C@H](O)[C@@H](N)CC1CCCCC1
|
C15H32N2O4S 336.498000 |
GUGSOYHTFXNBRW-SOUVJXGZSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50281232; PubChem:CID44324881
|
Local ready
Direct docking supported
|
|
E3L050893
BDB050893
|
BDBM50281233
CCCCNS(=O)(=O)C[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)CCc1ccccc1
|
C30H51N3O6S 581.820000 |
ABSAGCAPYLJBOD-YJIPECKFSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50281233; PubChem:CID44325499
|
Local ready
Direct docking supported
|
|
E3L050894
BDB050894
|
BDBM50281234
CCCCNS(=O)(=O)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1ccccc1
|
C30H47N5O6S 605.802000 |
VKIYJLZLTJGKEQ-PFWSVGDOSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50281234; PubChem:CID44325121
|
Local ready
Direct docking supported
|
|
E3L050895
BDB050895
|
BDBM50281235
CCCCNS(=O)(=O)C[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(C)=O
|
C17H34N2O5S 378.535000 |
WJWATDVRWIHUJM-GVDBMIGSSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50281235; PubChem:CID44324882
|
Local ready
Direct docking supported
|
|
E3L050896
BDB050896
|
BDBM50281236
CCCCNS(=O)(=O)C[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](O)CC(C)C
|
C21H42N2O6S 450.642000 |
ATHDBXJUSVTRLQ-VNTMZGSJSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50281236; PubChem:CID44325306
|
Local ready
Direct docking supported
|
|
E3L050897
BDB050897
|
BDBM50281237
CCCCNS(=O)(=O)C[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
|
C29H49N3O7S 583.792000 |
XXINXILSGHOMAT-GWMMUDDPSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50281237; PubChem:CID44325179
|
Local ready
Direct docking supported
|
|
E3L050898
BDB050898
|
BDBM50281238
CCCCNS(=O)(=O)C[C@@H](O)[C@H](O)[C@@H](N)CC1CCCCC1
|
C15H32N2O4S 336.498000 |
GUGSOYHTFXNBRW-RRFJBIMHSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50281238; PubChem:CID44325336
|
Local ready
Direct docking supported
|
|
E3L050899
BDB050899
|
BDBM50281239
CCCCNS(=O)(=O)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NCCCc1cnc[nH]1
|
C21H40N4O4S 444.642000 |
DMSZEIAGVMRLLY-PCCBWWKXSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50281239; PubChem:CID44325168
|
Local ready
Direct docking supported
|
|
E3L050900
BDB050900
|
BDBM50281240
CCCCNS(=O)(=O)C[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NS(=O)(=O)CCc1ccccc1
|
C29H47N5O7S2 641.857000 |
HMLCCPLOZFQABP-YVHASNINSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50281240; PubChem:CID44325449
|
Local ready
Direct docking supported
|