| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L000401
BDB000401
|
BDBM18324
COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(N)=O)C(C)C)C(C)C)ccc1OC
|
C27H47N3O6 509.688000 |
TZAKQUYZOZTKGV-MLCQCVOFSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18324; PubChem:CID23626273
|
Local ready
Direct docking supported
|
|
E3L000402
BDB000402
|
BDBM18325
COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)N[C@@H](C)C(N)=O)C(C)C)C(C)C)ccc1OC
|
C28H49N3O6 523.715000 |
CPNBTQDCWWCVNK-DUSBTPNUSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18325; PubChem:CID23626275
|
Local ready
Direct docking supported
|
|
E3L000403
BDB000403
|
BDBM18326
CC[C@H](NC(=O)[C@@H](C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C)C(C)C)C(N)=O
|
C29H51N3O6 537.742000 |
SGCDBYALYCBEJZ-KEOOTSPTSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18326; PubChem:CID23626277
|
Local ready
Direct docking supported
|
|
E3L000404
BDB000404
|
BDBM18327
COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)N[C@@H](CO)C(N)=O)C(C)C)C(C)C)ccc1OC
|
C28H49N3O7 539.714000 |
BFBDPNGVPQELRG-LSBAASHUSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18327; PubChem:CID23626423
|
Local ready
Direct docking supported
|
|
E3L000405
BDB000405
|
BDBM18328
COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1OC
|
C29H51N3O6 537.742000 |
ACXRTNMTDZVPHF-ZJZGAYNASA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18328; PubChem:CID23626425
|
Local ready
Direct docking supported
|
|
E3L000406
BDB000406
|
BDBM18329
CNC(=O)CCNC(=O)[C@@H](C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C)C(C)C
|
C29H51N3O6 537.742000 |
JBROSEDLAAOXPE-QORCZRPOSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18329; PubChem:CID23626427
|
Local ready
Direct docking supported
|
|
E3L000407
BDB000407
|
BDBM18330
COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCCC(=O)N(C)C)C(C)C)C(C)C)ccc1OC
|
C30H53N3O6 551.769000 |
HBTLHUNAYHJKLO-CQJMVLFOSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18330; PubChem:CID23625794
|
Local ready
Direct docking supported
|
|
E3L000408
BDB000408
|
BDBM18331
COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)N[C@@H](C)CC(N)=O)C(C)C)C(C)C)ccc1OC
|
C29H51N3O6 537.742000 |
LZIGDCSWGKQHTD-NPJMLQJUSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18331; PubChem:CID23626429
|
Local ready
Direct docking supported
|
|
E3L000409
BDB000409
|
BDBM18332
COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)N[C@H](C)CC(N)=O)C(C)C)C(C)C)ccc1OC
|
C29H51N3O6 537.742000 |
LZIGDCSWGKQHTD-JFOHGXHASA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18332; PubChem:CID23626431
|
Local ready
Direct docking supported
|
|
E3L000410
BDB000410
|
BDBM18333
COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NC[C@H](C)C(N)=O)C(C)C)C(C)C)ccc1OC
|
C29H51N3O6 537.742000 |
NDMWBTBSSUVBCZ-NPJMLQJUSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18333; PubChem:CID23626581
|
Local ready
Direct docking supported
|
|
E3L000411
BDB000411
|
BDBM18334
COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NC[C@@H](C)C(N)=O)C(C)C)C(C)C)ccc1OC
|
C29H51N3O6 537.742000 |
NDMWBTBSSUVBCZ-JFOHGXHASA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18334; PubChem:CID23626583
|
Local ready
Direct docking supported
|
|
E3L000412
BDB000412
|
BDBM18335
CNC(=O)[C@@H](C)CNC(=O)[C@@H](C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C)C(C)C
|
C30H53N3O6 551.769000 |
BFIDKKSZGRMHCA-GKKOWRRISA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18335; PubChem:CID23625797
|
Local ready
Direct docking supported
|
|
E3L000413
BDB000413
|
BDBM18336
CNC(=O)[C@H](C)CNC(=O)[C@@H](C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C)C(C)C
|
C30H53N3O6 551.769000 |
BFIDKKSZGRMHCA-KAPZOZIZSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18336; PubChem:CID23626585
|
Local ready
Direct docking supported
|
|
E3L000414
BDB000414
|
BDBM18337
CNC(=O)C(C)(C)CNC(=O)[C@@H](C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C)C(C)C
|
C31H55N3O6 565.796000 |
PUQJJMBLZVDXHQ-CQJMVLFOSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18337; PubChem:CID23626587
|
Local ready
Direct docking supported
|
|
E3L000415
BDB000415
|
BDBM18338
CNC(=O)CCCNC(=O)[C@@H](C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C)C(C)C
|
C30H53N3O6 551.769000 |
YTAHXBZTLOJJPG-CQJMVLFOSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18338; PubChem:CID23625484
|
Local ready
Direct docking supported
|
|
E3L000416
BDB000416
|
BDBM18339
COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCCCC(=O)N(C)C)C(C)C)C(C)C)ccc1OC
|
C31H55N3O6 565.796000 |
XBOCFPJGRTXVKU-FWEHEUNISA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18339; PubChem:CID23626589
|
Local ready
Direct docking supported
|
|
E3L000417
BDB000417
|
BDBM18340
COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NC[C@@H]2CCC(=O)N2)C(C)C)C(C)C)ccc1OC
|
C30H51N3O6 549.753000 |
BXRXSNOPXSYVNH-LROMGURASA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18340; PubChem:CID23625487
|
Local ready
Direct docking supported
|
|
E3L000418
BDB000418
|
BDBM18341
COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NC[C@H]2CCC(=O)N2)C(C)C)C(C)C)ccc1OC
|
C30H51N3O6 549.753000 |
BXRXSNOPXSYVNH-UUNMLIRYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18341; PubChem:CID23626751
|
Local ready
Direct docking supported
|
|
E3L000419
BDB000419
|
BDBM18342
COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCCN2CCOCC2)C(C)C)C(C)C)ccc1OC
|
C31H55N3O6 565.796000 |
RFNPLSNMDRXZBX-LJWNLINESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18342; PubChem:CID23626753
|
Local ready
Direct docking supported
|
|
E3L000420
BDB000420
|
BDBM18343
COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCCCN2CCOCC2)C(C)C)C(C)C)ccc1OC
|
C32H57N3O6 579.823000 |
NZBXYAPXXXYWPS-DZUOILHNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM18343; PubChem:CID23625489
|
Local ready
Direct docking supported
|