| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L043321
BDB043321
|
BDBM50006130
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@H](CC(=O)N1CCOCC1)Cc1ccccc1
|
C35H52N4O6S 656.890000 |
BUKWTWOUAOQUOW-DENZBVHTSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006130
|
Local ready
Direct docking supported
|
|
E3L043322
BDB043322
|
BDBM50006131
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@H]1[C@H](C(=O)N2CCOCC2)[C@H]1c1ccccc1
|
C35H50N4O6S 654.874000 |
VODBBWOBQAWRSZ-BXISPNFRSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006131
|
Local ready
Direct docking supported
|
|
E3L043323
BDB043323
|
BDBM50006132
CCOC(=O)N[C@@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
|
C32H52IN3O6 701.687000 |
TYLAYGSYBANABY-MYHRABSESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50006132; PubChem:CID14212962
|
Local ready
Direct docking supported
|
|
E3L043324
BDB043324
|
BDBM50006133
CC(C)C[C@@H]1[C@H](C(=O)N[C@@H](Cc2cscn2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)[C@H]1C(=O)N1CCOCC1
|
C33H54N4O6S 634.884000 |
KALQXTCVCGUSCK-UDHROHSDSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006133
|
Local ready
Direct docking supported
|
|
E3L043325
BDB043325
|
BDBM50006134
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@H]1[C@H](Cc2ccccc2)[C@@H]1C(=O)N1CCOCC1
|
C36H52N4O6S 668.901000 |
DDPPBKSFIPPHAN-XPTKUGARSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006134
|
Local ready
Direct docking supported
|
|
E3L043326
BDB043326
|
BDBM50006135
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@@H]1[C@@H](Cc2ccccc2)[C@H]1C(=O)N1CCOCC1
|
C36H52N4O6S 668.901000 |
DDPPBKSFIPPHAN-XPLARICQSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006135
|
Local ready
Direct docking supported
|
|
E3L043327
BDB043327
|
BDBM50006136
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@@H]1[C@@H](C(=O)N2CCOCC2)[C@@H]1c1ccccc1
|
C35H50N4O6S 654.874000 |
VODBBWOBQAWRSZ-JAEIGDNASA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006136
|
Local ready
Direct docking supported
|
|
E3L043328
BDB043328
|
BDBM50006137
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@H]1[C@@H](Cc2ccccc2)[C@@H]1C(=O)N1CCOCC1
|
C36H52N4O6S 668.901000 |
DDPPBKSFIPPHAN-HTCXMSKVSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006137
|
Local ready
Direct docking supported
|
|
E3L043329
BDB043329
|
BDBM50006138
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@H]1[C@H](C(=O)N2CCOCC2)[C@@H]1c1ccccc1
|
C35H50N4O6S 654.874000 |
VODBBWOBQAWRSZ-HXZLNTDVSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006138
|
Local ready
Direct docking supported
|
|
E3L043330
BDB043330
|
BDBM50006139
CC(C)C[C@H]1[C@H](C(=O)N[C@@H](Cc2cscn2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)[C@H]1C(=O)N1CCOCC1
|
C33H54N4O6S 634.884000 |
KALQXTCVCGUSCK-YFYZGSBZSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006139
|
Local ready
Direct docking supported
|
|
E3L043331
BDB043331
|
BDBM50006140
C=CCOC1CCN(C(=O)[C@H](Cc2ccccc2)O[C@@H](CCCC)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)CC1
|
C37H60N2O6 628.895000 |
AMQZJHQSASWTKL-PRTBYXSSSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50006140; PubChem:CID15172791
|
Local ready
Direct docking supported
|
|
E3L043332
BDB043332
|
BDBM50006141
CCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
|
C35H58N2O7 618.856000 |
RNEYLZROBLYYGT-PMUGGPHNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50006141; PubChem:CID44293440
|
Local ready
Direct docking supported
|
|
E3L043333
BDB043333
|
BDBM50006142
CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
|
C33H55N3O5 573.819000 |
TYOBVSWYHQVCEW-STVCLKQXSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50006142; PubChem:CID10415718
|
Local ready
Direct docking supported
|
|
E3L043334
BDB043334
|
BDBM50006143
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](C)O[C@@H](Cc1ccccc1)C(=O)N1CCCCC1
|
C31H50N2O5 530.750000 |
CSRIGEFRVNRBEE-OWKJSNILSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50006143; PubChem:CID15172803
|
Local ready
Direct docking supported
|
|
E3L043335
BDB043335
|
BDBM50006144
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-VFFRCKCKSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50006144; PubChem:CID15172739
|
Local ready
Direct docking supported
|
|
E3L043336
BDB043336
|
BDBM50006145
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(C)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1
|
C30H49N3O5 531.738000 |
FXDUGRSXXWXCQP-YJWJFLMMSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50006145; PubChem:CID15172741
|
Local ready
Direct docking supported
|
|
E3L043337
BDB043337
|
BDBM50006146
CCOC(=O)C(CCc1ccccc1)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
|
C32H54N2O5 546.793000 |
NHINOKSWTLRCSV-DMCDOLBQSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50006146; PubChem:CID15172811
|
Local ready
Direct docking supported
|
|
E3L043338
BDB043338
|
BDBM50006147
CC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
|
C34H56N2O7 604.829000 |
AGVMNDNGYZQEGL-QEUNAIBPSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50006147; PubChem:CID44293742
|
Local ready
Direct docking supported
|
|
E3L043339
BDB043339
|
BDBM50006148
CCCCNC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCC)O[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(C)C
|
C41H69N3O7 716.017000 |
DZQUVALQGGELBO-LQWITFIISA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006148
|
Local ready
Direct docking supported
|
|
E3L043340
BDB043340
|
BDBM50006149
CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(OCCC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
|
C37H62N2O6 630.911000 |
LFCKHPYUTHHCDL-PRTBYXSSSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50006149; PubChem:CID15172792
|
Local ready
Direct docking supported
|