| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L043281
BDB043281
|
BDBM50005420
O=C(C[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)NCCN1CCOCC1
|
C36H56N8O8S 760.959000 |
WDEUXEWUKXQQMN-NROWOOLRSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50005420
|
Local ready
Direct docking supported
|
|
E3L043282
BDB043282
|
BDBM50005421
CC[C@H](C)CNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)C(NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12)Sc1ccccc1
|
C45H53N3O4S 732.003000 |
ZWZVFPIJENJSRP-LYSOGVRPSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50005421; PubChem:CID15659159
|
Local ready
Direct docking supported
|
|
E3L043283
BDB043283
|
BDBM50005422
CCCOC(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C(F)(F)C(=O)NCCN1CCOCC1
|
C35H56F2N6O9S 774.929000 |
DWJLWZMNUKFHOF-IKFRDQNWSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50005422
|
Local ready
Direct docking supported
|
|
E3L043284
BDB043284
|
BDBM50005423
C#CCOC(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
|
C32H50N4O8S 650.839000 |
BQQOAUJVYWQLRX-GDZMZIAQSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50005423; PubChem:CID15659173
|
Local ready
Direct docking supported
|
|
E3L043285
BDB043285
|
BDBM50005424
CC[C@H](C)CNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)C(NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12)NC(C)C
|
C42H56N4O4 680.934000 |
ONXJAZRYKXKHHC-YUTBOZRQSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50005424
|
Local ready
Direct docking supported
|
|
E3L043286
BDB043286
|
BDBM50005425
C=CCN(C)C(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
|
C34H56N4O6 616.844000 |
QDRODJQHFZKMRP-HFXSEVENSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50005425; PubChem:CID15659182
|
Local ready
Direct docking supported
|
|
E3L043287
BDB043287
|
BDBM50005426
CCNC(NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)NC[C@@H](C)CC
|
C41H54N4O4 666.907000 |
VPYUWYGKAFARRA-KNECPMSDSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50005426; PubChem:CID15659154
|
Local ready
Direct docking supported
|
|
E3L043288
BDB043288
|
BDBM50005427
CCOC(NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)NC[C@@H](C)CC
|
C41H53N3O5 667.891000 |
XZMYIQWEYMSKLQ-SFZJUSIKSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50005427; PubChem:CID15659150
|
Local ready
Direct docking supported
|
|
E3L043289
BDB043289
|
BDBM50005428
CCOC(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
|
C31H52N4O8S 640.844000 |
GQUBJSPCTRAWQA-YYSMLTSASA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50005428; PubChem:CID15659167
|
Local ready
Direct docking supported
|
|
E3L043290
BDB043290
|
BDBM50005430
CC[C@H](C)CNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)C(NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12)N(C)C
|
C41H54N4O4 666.907000 |
YAUSVFMEGKSCJG-KNECPMSDSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50005430; PubChem:CID15659162
|
Local ready
Direct docking supported
|
|
E3L043291
BDB043291
|
BDBM50005431
CCCOC(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
|
C32H54N4O8S 654.871000 |
QYPDSNCYTUHFDC-GDZMZIAQSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50005431; PubChem:CID15659170
|
Local ready
Direct docking supported
|
|
E3L043292
BDB043292
|
BDBM50005432
CCOC(=O)NC(NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)NC[C@@H](C)CC
|
C42H54N4O6 710.916000 |
RMOJKJDDQMTJFR-KNECPMSDSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50005432
|
Local ready
Direct docking supported
|
|
E3L043293
BDB043293
|
BDBM50005433
CCCOC(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-QXSWOPKKSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50005433
|
Local ready
Direct docking supported
|
|
E3L043294
BDB043294
|
BDBM50005434
CC[C@H](C)CNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)C(NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12)OC
|
C40H51N3O5 653.864000 |
FAOJXAISAZQDIB-AVFYAHPBSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50005434; PubChem:CID15659155
|
Local ready
Direct docking supported
|
|
E3L043295
BDB043295
|
BDBM50005435
CC[C@H](C)CNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)C(N)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
|
C39H50N4O4 638.853000 |
CNHCDGVYZXTPAZ-PRWOVBCHSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50005435; PubChem:CID15659160
|
Local ready
Direct docking supported
|
|
E3L043296
BDB043296
|
BDBM50005436
C=CCSC(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NCCN1CCOCC1
|
C35H56N6O8S2 753.001000 |
DORMUSOHCBZVOD-CNUSUHBYSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50005436
|
Local ready
Direct docking supported
|
|
E3L043297
BDB043297
|
BDBM50005437
C=CCSC(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
|
C32H52N4O7S2 668.923000 |
ZPQDRLPJUKSWIJ-GDZMZIAQSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50005437; PubChem:CID15659176
|
Local ready
Direct docking supported
|
|
E3L043298
BDB043298
|
BDBM50005438
CC[C@H](C)CNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)C(NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12)SC(C)C
|
C42H55N3O4S 697.986000 |
SZRPDUCWYCTFEB-PEDBTRJESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50005438; PubChem:CID15659157
|
Local ready
Direct docking supported
|
|
E3L043299
BDB043299
|
BDBM50005439
CCSC(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
|
C32H53N3O6S 607.858000 |
XQLQNLOPRYSJBA-JXSHCWFBSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50005439; PubChem:CID15659181
|
Local ready
Direct docking supported
|
|
E3L043300
BDB043300
|
BDBM50005440
CC[C@H](C)CNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)C(NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12)Oc1ccccc1
|
C45H53N3O5 715.935000 |
VWHIRCUCQBJMML-LYSOGVRPSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50005440; PubChem:CID15659156
|
Local ready
Direct docking supported
|