| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L000381
BDB000381
|
BDBM18304
COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCC(=O)OC)C(C)C)ccc1OC
|
C28H48N2O7 524.699000 |
NROMLGQKAFLGFR-KAMZKSLDSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18304; PubChem:CID23626417
|
Local ready
Direct docking supported
|
|
E3L000382
BDB000382
|
BDBM18305
COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCCOC(C)=O)C(C)C)ccc1OC
|
C29H50N2O7 538.726000 |
WTTJOVMSIMZPJD-NDEVUPSOSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18305; PubChem:CID23626419
|
Local ready
Direct docking supported
|
|
E3L000383
BDB000383
|
BDBM18306
COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCC#N)C(C)C)ccc1OC
|
C27H45N3O5 491.673000 |
ZEHRVYQNWUVQCO-KAMZKSLDSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18306; PubChem:CID10345514
|
Local ready
Direct docking supported
|
|
E3L000384
BDB000384
|
BDBM18307
COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCC(N)=O)C(C)C)ccc1OC
|
C26H45N3O6 495.661000 |
RNLCLOVNDOQYQO-GBAJDQEWSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18307; PubChem:CID10028753
|
Local ready
Direct docking supported
|
|
E3L000385
BDB000385
|
BDBM18308
COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCC(N)=O)C(C)C)ccc1OC
|
C27H47N3O6 509.688000 |
IPMQMJROMZDCGF-SWUCNREESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18308; PubChem:CID23626574
|
Local ready
Direct docking supported
|
|
E3L000386
BDB000386
|
BDBM18309
CNC(=O)CCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C
|
C28H49N3O6 523.715000 |
KCVOMEXXXRKOOT-KAMZKSLDSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18309; PubChem:CID23626576
|
Local ready
Direct docking supported
|
|
E3L000387
BDB000387
|
BDBM18310
COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCC(=O)NCCOC)C(C)C)ccc1OC
|
C30H53N3O7 567.768000 |
BPHRVQBJSVSOCT-DNZIZEQUSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18310; PubChem:CID9985427
|
Local ready
Direct docking supported
|
|
E3L000388
BDB000388
|
BDBM18311
COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCCC(N)=O)C(C)C)ccc1OC
|
C28H49N3O6 523.715000 |
IZYXMVKELAEHKP-KAMZKSLDSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18311; PubChem:CID10007010
|
Local ready
Direct docking supported
|
|
E3L000389
BDB000389
|
BDBM18312
COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCC(=O)N2CCOCC2)C(C)C)ccc1OC
|
C31H53N3O7 579.779000 |
VUPWQHVVJYLHCF-BDGPUAICSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18312; PubChem:CID10053962
|
Local ready
Direct docking supported
|
|
E3L000390
BDB000390
|
BDBM18313
COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCNC(C)=O)C(C)C)ccc1OC
|
C27H47N3O6 509.688000 |
FXYJEKVEPVJLQA-DLTYFMDKSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18313; PubChem:CID10324039
|
Local ready
Direct docking supported
|
|
E3L000391
BDB000391
|
BDBM18314
CCS(=O)(=O)CCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C
|
C27H48N2O7S 544.755000 |
NQHIRCGUAALQIA-KAMZKSLDSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18314; PubChem:CID23626747
|
Local ready
Direct docking supported
|
|
E3L000392
BDB000392
|
8-Phenyl-octanecarboxamide peptidomimetic, 72
COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCS(=O)(=O)C(C)(C)C)C(C)C)ccc1OC
|
C30H54N2O7S 586.836000 |
BDQCTBNJTNSECC-DNZIZEQUSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18315; PubChem:CID10077055
|
Local ready
Direct docking supported
|
|
E3L000393
BDB000393
|
BDBM18316
COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCS(=O)(=O)N(C)C)C(C)C)ccc1OC
|
C27H49N3O7S 559.770000 |
YNBOCEDDDXTHSP-KAMZKSLDSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18316; PubChem:CID11757504
|
Local ready
Direct docking supported
|
|
E3L000394
BDB000394
|
BDBM18317
COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCc2ccccn2)C(C)C)ccc1OC
|
C30H47N3O5 529.722000 |
OOWLJDUZVJCLKH-LWGQKRLESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18317; PubChem:CID10052707
|
Local ready
Direct docking supported
|
|
E3L000395
BDB000395
|
BDBM18318
COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCc2cnc[nH]2)C(C)C)ccc1OC
|
C29H48N4O5 532.726000 |
SDDHPSMLTREVNN-KCQQGECQSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18318; PubChem:CID10075757
|
Local ready
Direct docking supported
|
|
E3L000396
BDB000396
|
BDBM18319
COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCc2nnn[nH]2)C(C)C)ccc1OC
|
C27H46N6O5 534.702000 |
OKQNPIWNSODUFU-SWUCNREESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18319; PubChem:CID10075813
|
Local ready
Direct docking supported
|
|
E3L000397
BDB000397
|
BDBM18320
COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCc2nc(C)no2)C(C)C)ccc1OC
|
C29H48N4O6 548.725000 |
MFOAMUSEPUAMJH-OCFYOKIWSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18320; PubChem:CID23626910
|
Local ready
Direct docking supported
|
|
E3L000398
BDB000398
|
BDBM18321
CCCCNC(=O)[C@@H](C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C)C(C)C
|
C29H52N2O5 508.744000 |
OXGHFKXMQVQSOA-CQJMVLFOSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18321; PubChem:CID23625646
|
Local ready
Direct docking supported
|
|
E3L000399
BDB000399
|
BDBM18322
COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCCC(N)=O)C(C)C)C(C)C)ccc1OC
|
C28H49N3O6 523.715000 |
ZMXQABNZQRBOJN-ZJZGAYNASA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18322; PubChem:CID23626269
|
Local ready
Direct docking supported
|
|
E3L000400
BDB000400
|
BDBM18323
COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCCCC(N)=O)C(C)C)C(C)C)ccc1OC
|
C29H51N3O6 537.742000 |
LMCVDCIHZUTNIB-QORCZRPOSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18323; PubChem:CID23626271
|
Local ready
Direct docking supported
|