| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L043381
BDB043381
|
BDBM50006190
CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)N1CCCN(C)CC1)C(C)C
|
C43H72N4O7 757.070000 |
RUGHFXHNZVGBJM-HECCNADXSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006190
|
Local ready
Direct docking supported
|
|
E3L043382
BDB043382
|
BDBM50006191
CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](NC(=O)OCCN(C)C)C(C)C
|
C41H70N4O8 747.031000 |
ZWBSQWCLSYAPRE-LQWITFIISA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006191
|
Local ready
Direct docking supported
|
|
E3L043383
BDB043383
|
BDBM50006192
CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCCCN(C)C)C(C)C
|
C42H73N5O6 744.075000 |
HCDCGGXJNMULQU-MQDBWYGVSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006192
|
Local ready
Direct docking supported
|
|
E3L043384
BDB043384
|
BDBM50006193
CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)N(C)CCCN(C)C)C(C)C
|
C43H74N4O7 759.086000 |
GAWOKIFOPPOCJK-HECCNADXSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006193
|
Local ready
Direct docking supported
|
|
E3L043385
BDB043385
|
BDBM50006194
CCCCC(=O)N[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C
|
C39H62N6O6 710.961000 |
GHFCLDOTGDMEKT-LJADHVKFSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006194
|
Local ready
Direct docking supported
|
|
E3L043386
BDB043386
|
BDBM50006195
CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](NC(=O)OCCN1CCOCC1)C(C)C
|
C43H72N4O9 789.068000 |
WHSOTIMNSQAVOJ-HECCNADXSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006195
|
Local ready
Direct docking supported
|
|
E3L043387
BDB043387
|
BDBM50006196
CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](NC(=O)OCCN(C)C)C(C)C
|
C41H71N5O7 746.047000 |
NFLVODFJRVXRRV-LQWITFIISA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006196
|
Local ready
Direct docking supported
|
|
E3L043388
BDB043388
|
BDBM50006197
CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCCC[N+](C)(C)[O-])C(C)C
|
C42H72N4O8 761.058000 |
NLBHKBLYIITFAY-MQDBWYGVSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006197
|
Local ready
Direct docking supported
|
|
E3L043389
BDB043389
|
BDBM50006198
CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCCCN1CCOCC1)C(C)C
|
C44H75N5O7 786.112000 |
GCPIUJCDMVUVPY-LSLOANPCSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006198
|
Local ready
Direct docking supported
|
|
E3L043390
BDB043390
|
BDBM50006199
CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)N(C)CCN(C)C)C(C)C
|
C42H72N4O7 745.059000 |
LLRPEIWKVQKROX-MQDBWYGVSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006199
|
Local ready
Direct docking supported
|
|
E3L043391
BDB043391
|
BDBM50006200
CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](NC(=O)OCCN1CCOCC1)C(C)C
|
C43H73N5O8 788.084000 |
WWMXGKUOOCLGAA-HECCNADXSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006200
|
Local ready
Direct docking supported
|
|
E3L043392
BDB043392
|
BDBM50006201
CC(C)[C@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)NC(=O)OCCCN(C)C
|
C40H65N7O7 756.002000 |
XDRYTUHSOPGYMQ-ZZTWKDBPSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006201
|
Local ready
Direct docking supported
|
|
E3L043393
BDB043393
|
Enalkiren
COc1ccc(C[C@H](NC(=O)CC(C)(C)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)cc1
|
C35H56N6O6 656.869000 |
KQXVERRYBYGQJZ-WRPDIKACSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50006202; PubChem:CID60594
|
Local ready
Direct docking supported
|
|
E3L043394
BDB043394
|
BDBM50006203
CC(C)[C@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)NS(C)(=O)=O
|
C35H56N6O7S 704.935000 |
BAWPVZNJUPOBET-QKUYTOGTSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006203
|
Local ready
Direct docking supported
|
|
E3L043395
BDB043395
|
BDBM50006204
CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCCC[N+]1([O-])CCOCC1)C(C)C
|
C44H74N4O9 803.095000 |
NAPFNQVXEMRWMJ-LSLOANPCSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006204
|
Local ready
Direct docking supported
|
|
E3L043396
BDB043396
|
BDBM50006205
CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](NC(=O)OCCCN(C)C)C(C)C
|
C42H72N4O8 761.058000 |
OKGWEDTXLAFHHQ-MQDBWYGVSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006205
|
Local ready
Direct docking supported
|
|
E3L043397
BDB043397
|
BDBM50006206
CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCCc1ccccn1)C(C)C
|
C44H68N4O7 765.049000 |
DELYTNJVWONZIF-LSLOANPCSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006206
|
Local ready
Direct docking supported
|
|
E3L043398
BDB043398
|
BDBM50006207
CCCOC(=O)N[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C
|
C38H60N6O7 712.933000 |
KPSREJUIWGMDLW-ZTTXAYQISA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006207
|
Local ready
Direct docking supported
|
|
E3L043399
BDB043399
|
BDBM50006208
CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCCCn1ccnc1)C(C)C
|
C43H69N5O7 768.053000 |
XWSBOUOBYONKBH-HECCNADXSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006208
|
Local ready
Direct docking supported
|
|
E3L043400
BDB043400
|
BDBM50006209
CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](N)C(C)C
|
C36H61N3O6 631.899000 |
KFNQOAHGORLHKC-LJADHVKFSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50006209; PubChem:CID14991475
|
Local ready
Direct docking supported
|