| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L000361
BDB000361
|
BDBM18284
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCCOC)c1)C(C)C
|
C28H50N2O5 494.717000 |
XVOSASXCTQRVRE-VZVHPENPSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18284; PubChem:CID9983224
|
Local ready
Direct docking supported
|
|
E3L000362
BDB000362
|
BDBM18285
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCOCCOC)c1)C(C)C
|
C28H50N2O6 510.716000 |
VZIKQAWDPRHIDW-VZVHPENPSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18285; PubChem:CID9983835
|
Local ready
Direct docking supported
|
|
E3L000363
BDB000363
|
BDBM18286
CCCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCC)C(C)C)ccc1OC
|
C28H50N2O4 478.718000 |
GRURNVFMMQASQN-VZVHPENPSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18286; PubChem:CID10005310
|
Local ready
Direct docking supported
|
|
E3L000364
BDB000364
|
BDBM18287
COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCO)C(C)C)ccc1OC
|
C26H46N2O6 482.662000 |
PHIKXASJTDOCOF-SWUCNREESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18287; PubChem:CID23626113
|
Local ready
Direct docking supported
|
|
E3L000365
BDB000365
|
BDBM18288
COCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C
|
C27H48N2O6 496.689000 |
GAQKDGUJLINCJE-KAMZKSLDSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18288; PubChem:CID10051534
|
Local ready
Direct docking supported
|
|
E3L000366
BDB000366
|
BDBM18289
COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCCO)C(C)C)ccc1OC
|
C27H48N2O6 496.689000 |
QUBJGXKEBUBAFN-KAMZKSLDSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18289; PubChem:CID23626115
|
Local ready
Direct docking supported
|
|
E3L000367
BDB000367
|
BDBM18290
COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCN(C)C)C(C)C)ccc1OC
|
C27H49N3O5 495.705000 |
ARRBEPDQWNZWQY-KAMZKSLDSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18290; PubChem:CID11755536
|
Local ready
Direct docking supported
|
|
E3L000368
BDB000368
|
BDBM18291
COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCN)C(C)C)ccc1OC
|
C26H47N3O5 481.678000 |
PWRJBZSITZJPGF-SWUCNREESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18291; PubChem:CID23625019
|
Local ready
Direct docking supported
|
|
E3L000369
BDB000369
|
BDBM18292
COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCN2CCCCC2)C(C)C)ccc1OC
|
C30H53N3O5 535.770000 |
AHYFSBZVNOGKCY-BDGPUAICSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18292; PubChem:CID23626118
|
Local ready
Direct docking supported
|
|
E3L000370
BDB000370
|
BDBM18293
COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCN2CCOCC2)C(C)C)ccc1OC
|
C29H51N3O6 537.742000 |
LUQYTWLZRBBVRC-DNZIZEQUSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18293; PubChem:CID23625021
|
Local ready
Direct docking supported
|
|
E3L000371
BDB000371
|
BDBM18294
COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCN2C[C@@H](C)O[C@@H](C)C2)C(C)C)ccc1OC
|
C31H55N3O6 565.796000 |
FJPZRFMUNBBITF-VHSORMFHSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18294; PubChem:CID23626120
|
Local ready
Direct docking supported
|
|
E3L000372
BDB000372
|
BDBM18295
COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCC(C)(C)N2CCOCC2)C(C)C)ccc1OC
|
C31H55N3O6 565.796000 |
PIRXRJFXHHVWQE-BDGPUAICSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18295; PubChem:CID23625023
|
Local ready
Direct docking supported
|
|
E3L000373
BDB000373
|
BDBM18296
COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCN2CCOCC2)C(C)C)ccc1OC
|
C30H53N3O6 551.769000 |
VAHBXXANYLMJGM-BDGPUAICSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18296; PubChem:CID23626261
|
Local ready
Direct docking supported
|
|
E3L000374
BDB000374
|
BDBM18297
COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCN2CCSCC2)C(C)C)ccc1OC
|
C29H51N3O5S 553.810000 |
ZLNLLXMJYGLSPC-DNZIZEQUSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18297; PubChem:CID23626263
|
Local ready
Direct docking supported
|
|
E3L000375
BDB000375
|
8-Phenyl-octanecarboxamide peptidomimetic, 55
COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCN2CCS(=O)(=O)CC2)C(C)C)ccc1OC
|
C29H51N3O7S 585.808000 |
WEVLVLUAUKPEDA-DNZIZEQUSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18298; PubChem:CID10483457
|
Local ready
Direct docking supported
|
|
E3L000376
BDB000376
|
BDBM18299
COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCN2CCC(O)CC2)C(C)C)ccc1OC
|
C30H53N3O6 551.769000 |
LZILKNLWAYFBJV-LWGQKRLESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18299; PubChem:CID23626265
|
Local ready
Direct docking supported
|
|
E3L000377
BDB000377
|
BDBM18300
COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCN2CCC(OC)CC2)C(C)C)ccc1OC
|
C31H55N3O6 565.796000 |
HJUPWBWKFVEKNP-DEKSYSNASA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18300; PubChem:CID23625026
|
Local ready
Direct docking supported
|
|
E3L000378
BDB000378
|
BDBM18301
COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCC(=O)O)C(C)C)ccc1OC
|
C26H44N2O7 496.645000 |
PFOILAKVXXLGPQ-GBAJDQEWSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18301; PubChem:CID10323571
|
Local ready
Direct docking supported
|
|
E3L000379
BDB000379
|
BDBM18302
COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCC(=O)O)C(C)C)ccc1OC
|
C27H46N2O7 510.672000 |
KESNNQSEPBXION-SWUCNREESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18302; PubChem:CID10346255
|
Local ready
Direct docking supported
|
|
E3L000380
BDB000380
|
BDBM18303
CCOC(=O)CCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C
|
C28H48N2O7 524.699000 |
CKOOPCQQFYOAEC-KAMZKSLDSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18303; PubChem:CID23626415
|
Local ready
Direct docking supported
|