| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L044881
BDB044881
|
BDBM50046781
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccn[nH]1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1
|
C35H53N5O6 639.838000 |
XSSDXQDEHHKCMR-QCZWDIFZSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50046781; PubChem:CID9986603
|
Local ready
Direct docking supported
|
|
E3L044882
BDB044882
|
BDBM50046782
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CN=[N+]=[N-])NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1
|
C32H50N6O6 614.788000 |
HELSNFGREWNGII-FEWUNMPKSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50046782; PubChem:CID10461457
|
Local ready
Direct docking supported
|
|
E3L044883
BDB044883
|
BDBM50046783
CC(C)C[C@H](NC(=O)[C@@H](CC(=O)N1CCN(C)CC1)Cc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
|
C36H60N4O5 628.899000 |
YRYVFBUKRXJBMG-KAAJUZHGSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50046783; PubChem:CID10054747
|
Local ready
Direct docking supported
|
|
E3L044884
BDB044884
|
BDBM50046784
CCN1C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2cscn2)NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CC(C)(C)N)OC1=O
|
C35H52N6O7S 700.903000 |
DQBYPOXZFQVFFV-NWBQTEKMSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50046784
|
Local ready
Direct docking supported
|
|
E3L044885
BDB044885
|
BDBM50046785
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccn[nH]1)NC(=O)[C@@H](CC(=O)N1CCN(C)CC1)Cc1ccccc1
|
C36H56N6O5 652.881000 |
UVIAMIQSBXZGNV-YVNNRUMDSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50046785; PubChem:CID10439257
|
Local ready
Direct docking supported
|
|
E3L044886
BDB044886
|
BDBM50046786
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CC(=O)N1CCN(C)CC1)Cc1ccccc1
|
C36H56N6O5 652.881000 |
WJQFHRUDUDEEDW-YVNNRUMDSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50046786; PubChem:CID10416850
|
Local ready
Direct docking supported
|
|
E3L044887
BDB044887
|
BDBM50046787
COc1ccc(C[C@H](NC(=O)N2CCN(C)CC2)C(=O)N[C@@H](Cc2cscn2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)cc1
|
C36H56N6O6S 700.947000 |
NWYGUHYSBOCJQH-PMUGGPHNSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50046787
|
Local ready
Direct docking supported
|
|
E3L044888
BDB044888
|
BDBM50046788
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cn1ccnc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1
|
C35H53N5O6 639.838000 |
QYECWSWYOHXQPJ-WJUOLASASA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50046788; PubChem:CID10461792
|
Local ready
Direct docking supported
|
|
E3L044889
BDB044889
|
BDBM50046789
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@@H](CC(=O)N1CCN(C)CC1)Cc1ccccc1
|
C37H56N4O5S 668.945000 |
KMZTXQXBVGHHBX-AJISXOSTSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50046789; PubChem:CID10372281
|
Local ready
Direct docking supported
|
|
E3L044890
BDB044890
|
BDBM50046790
CON(C)C[C@H](NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
|
C34H56N4O7 632.843000 |
MOPQPXUIKAEKHY-MCLUNMOSSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50046790; PubChem:CID10009222
|
Local ready
Direct docking supported
|
|
E3L044891
BDB044891
|
BDBM50046791
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@H](Cc1ccccc1)N1CCOCC1
|
C33H50N4O5S 614.853000 |
BPEBMLZWOLEHJA-STVCLKQXSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50046791; PubChem:CID9986272
|
Local ready
Direct docking supported
|
|
E3L044892
BDB044892
|
BDBM50046792
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@@H](CC(=O)N(C)CCN1CCOCC1)Cc1ccccc1
|
C38H59N5O6S 713.986000 |
NAROOOYGONPMEY-URWDCWSASA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50046792
|
Local ready
Direct docking supported
|
|
E3L044893
BDB044893
|
BDBM50046793
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@@H](CC(=O)N(C)CCc1c[nH]c2ccccc12)Cc1ccccc1
|
C42H57N5O5S 744.015000 |
MWXMVVQUXLODIX-BTTWFDIGSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50046793
|
Local ready
Direct docking supported
|
|
E3L044894
BDB044894
|
BDBM50046794
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@@H](CC(=O)N(C)CCc1ccccn1)Cc1ccccc1
|
C39H55N5O5S 705.966000 |
FTOFUXGQJCLRCU-UOXQYSJJSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50046794
|
Local ready
Direct docking supported
|
|
E3L044895
BDB044895
|
BDBM50046795
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@@H](CC(=O)N(C)CCN1CCN(C)CC1)Cc1ccccc1
|
C39H62N6O5S 727.029000 |
KTDCZDMACFVQCY-ZHODSEKVSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50046795
|
Local ready
Direct docking supported
|
|
E3L044896
BDB044896
|
BDBM50046796
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@H](Cc1ccccc1)CS(=O)(=O)C(C)(C)C
|
C34H53N3O6S2 663.947000 |
VAGHLSLYPQIPEG-GQZUPRNYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50046796; PubChem:CID10100916
|
Local ready
Direct docking supported
|
|
E3L044897
BDB044897
|
BDBM50046797
COCCN(C)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cscn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
|
C35H54N4O6S 658.906000 |
GBOVHHNOKBBNPT-QCZWDIFZSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50046797
|
Local ready
Direct docking supported
|
|
E3L044898
BDB044898
|
Zankiren
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@H](Cc1ccccc1)CS(=O)(=O)N1CCN(C)CC1
|
C35H55N5O6S2 705.988000 |
YFDSDRDMDDGDFC-HOQQKOLYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50046798; PubChem:CID3086652
|
Local ready
Direct docking supported
|
|
E3L044899
BDB044899
|
BDBM50046799
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@@H](CC(=O)N(C)CCn1cccn1)Cc1ccccc1
|
C37H54N6O5S 694.943000 |
XYAOQVSQLNESBZ-AJISXOSTSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50046799
|
Local ready
Direct docking supported
|
|
E3L044900
BDB044900
|
BDBM50046800
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@@H](CC(=O)N(C)CCc1ccncc1)Cc1ccccc1
|
C39H55N5O5S 705.966000 |
XQMHPYADRIKWID-ZHODSEKVSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50046800
|
Local ready
Direct docking supported
|