| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L043261
BDB043261
|
BDBM50005306
CCC[C@H](NC(=O)[C@H](Cc1ccccc1)N1Cc2ccccc2C1=O)C(=O)N[C@@H](CC1CCCCC1)C(O)C(=O)OC(C)C
|
C35H47N3O6 605.776000 |
PXIHYVZAKDAXEW-PFDUYEAOSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50005306; PubChem:CID15021438
|
Local ready
Direct docking supported
|
|
E3L043262
BDB043262
|
BDBM50005307
CC(C)CC(NC(=O)[C@H](Cc1ccccc1)N1CCCC1=O)C(=O)N[C@@H](CC1CCCCC1)C(O)C(=O)OC(C)C
|
C32H49N3O6 571.759000 |
NNNGVRWIGXBOPX-IRMSVDJDSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50005307; PubChem:CID44380356
|
Local ready
Direct docking supported
|
|
E3L043263
BDB043263
|
BDBM50005308
CC(C)CC(NC(=O)[C@H](Cc1ccccc1)N1Cc2cccc3cccc(c23)C1=O)C(=O)N[C@@H](CC1CCCCC1)C(O)C(=O)OC(C)C
|
C40H51N3O6 669.863000 |
ADLCICAASHTOOW-CBRCLNDLSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50005308; PubChem:CID44380316
|
Local ready
Direct docking supported
|
|
E3L043264
BDB043264
|
BDBM50005309
CC(C)CC(NC(=O)[C@H](Cc1ccccc1)N1Cc2ccccc2C1=O)C(=O)N[C@@H](CC1CCCCC1)C(O)C(=O)OC(C)C
|
C36H49N3O6 619.803000 |
JLJYBTISGWQOQX-SVKZVXJBSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50005309; PubChem:CID44380145
|
Local ready
Direct docking supported
|
|
E3L043265
BDB043265
|
BDBM50005310
COC(=O)C(O)[C@H](CC1CCCCC1)NC(=O)C(CC(C)C)NC(=O)[C@H](Cc1ccccc1)N1C(=O)c2cccc3cccc(c23)C1=O
|
C38H45N3O7 655.792000 |
YGCPSXMSPDEGJI-OHBNGNMFSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50005310; PubChem:CID44380355
|
Local ready
Direct docking supported
|
|
E3L043266
BDB043266
|
BDBM50005311
COC(=O)C(O)[C@H](CC1CCCCC1)NC(=O)C(CC(C)C)NC(=O)[C@H](Cc1ccccc1)N1Cc2ccccc2C1=O
|
C34H45N3O6 591.749000 |
QEVLWPXEGNYRMI-SUFZYDOPSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50005311; PubChem:CID44380170
|
Local ready
Direct docking supported
|
|
E3L043267
BDB043267
|
BDBM50005312
CCCCNC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCC)N1CC[C@H](c2ccccc2)[C@H](NC(C)=O)C1=O)C(C)C
|
C38H62N4O5 654.937000 |
QVBRROKTJAJURJ-SDCRPUFZSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50005312; PubChem:CID15725562
|
Local ready
Direct docking supported
|
|
E3L043268
BDB043268
|
BDBM50005313
CCCCNC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCC)N1Cc2ccccc2C[C@H](NC(=O)OC(C)(C)C)C1=O)C(C)C
|
C40H66N4O6 698.990000 |
QKVZJSLSRUHSPD-ZZTWKDBPSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50005313
|
Local ready
Direct docking supported
|
|
E3L043269
BDB043269
|
BDBM50005314
CCCCNC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCC)N1CC[C@@H](c2ccccc2)[C@H](NC(=O)OC(C)(C)C)C1=O)C(C)C
|
C41H68N4O6 713.017000 |
NGAMTYRGAORJLD-NGTAMTFRSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50005314
|
Local ready
Direct docking supported
|
|
E3L043270
BDB043270
|
BDBM50005315
CCCCNC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCC)N1Cc2ccccc2C[C@H](NC(C)=O)C1=O)C(C)C
|
C37H60N4O5 640.910000 |
ALJMAXPIMRQEJF-LJADHVKFSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50005315; PubChem:CID44380920
|
Local ready
Direct docking supported
|
|
E3L043271
BDB043271
|
BDBM50005316
CCCCNC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCC)N1CC[C@H](c2ccccc2)[C@H](NC(=O)OC(C)(C)C)C1=O)C(C)C
|
C41H68N4O6 713.017000 |
NGAMTYRGAORJLD-WXSFHFDCSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50005316
|
Local ready
Direct docking supported
|
|
E3L043272
BDB043272
|
BDBM50005317
CCCCNC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCC)N1Cc2ccccc2C[C@H](N)C1=O)C(C)C
|
C35H58N4O4 598.873000 |
ATPBQJUSFYKOML-XDIGFQIYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50005317; PubChem:CID15725568
|
Local ready
Direct docking supported
|
|
E3L043273
BDB043273
|
BDBM50005318
CCCCNC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCC)NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C
|
C39H66N4O6 686.979000 |
GXVPEBUAPYPATI-HTFLNRIMSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50005318; PubChem:CID44380919
|
Local ready
Direct docking supported
|
|
E3L043274
BDB043274
|
BDBM50005319
CCCCNC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCC)NC(=O)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O)C(C)C
|
C42H60N4O6 716.964000 |
QPYAWSUMHUMYIY-AFFBGLGGSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50005319; PubChem:CID44380917
|
Local ready
Direct docking supported
|
|
E3L043275
BDB043275
|
BDBM50005320
CCCCNC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCC)N1Cc2ccccc2C[C@H](N2C(=O)c3ccccc3C2=O)C1=O)C(C)C
|
C43H60N4O6 728.975000 |
MMNICBAGYUSAOP-LQWITFIISA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50005320
|
Local ready
Direct docking supported
|
|
E3L043276
BDB043276
|
BDBM50005321
CCCCNC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCC)NC(=O)C(Cc1ccccc1)NC(C)=O)C(C)C
|
C36H60N4O5 628.899000 |
IBLLBXKYLXOGGR-ORZIYQQOSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50005321; PubChem:CID44380918
|
Local ready
Direct docking supported
|
|
E3L043277
BDB043277
|
BDBM50005416
CC[C@H](C)CNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)C(Cc1c[nH]cn1)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
|
C43H53N5O4 703.928000 |
SHGYNXXABXGXNI-IWRMAHMXSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50005416
|
Local ready
Direct docking supported
|
|
E3L043278
BDB043278
|
BDBM50005417
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
|
C31H52N4O7S2 656.912000 |
KJPRBAWNGKPDKH-YYSMLTSASA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50005417; PubChem:CID15659169
|
Local ready
Direct docking supported
|
|
E3L043279
BDB043279
|
BDBM50005418
CCOC(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NCCN1CCOCC1
|
C34H56N6O9S 724.922000 |
GQHIAZWMQBLQHM-LMDNDRLDSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50005418; PubChem:CID15659183
|
Local ready
Direct docking supported
|
|
E3L043280
BDB043280
|
BDBM50005419
CC[C@H](C)CNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)C(NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12)SC
|
C40H51N3O4S 669.932000 |
WBXOUUSSLFJVAX-AVFYAHPBSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50005419; PubChem:CID15659151
|
Local ready
Direct docking supported
|