| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L051381
BDB051381
|
BDBM50298188
CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CNC(C)C)NC(=O)c1ccc(OC)c(OCCCOC)c1
|
C26H45N3O6 495.661000 |
UZGIBNFOFCCMRH-HJNYFJLDSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50298188; PubChem:CID45267720
|
Local ready
Direct docking supported
|
|
E3L051382
BDB051382
|
BDBM50298189
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CN(C(C)C)C(c2ccc(OC)c(OCCCOC)c2)=N1
|
C26H43N3O5 477.646000 |
XSADWEMTXXHHFZ-HJNYFJLDSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50298189; PubChem:CID45271109
|
Local ready
Direct docking supported
|
|
E3L051383
BDB051383
|
BDBM50298190
COCCCOc1cc(CN(C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1OC
|
C29H52N4O6 552.757000 |
GKGIFKZUIBKKDS-HJOGWXRNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50298190; PubChem:CID44517739
|
Local ready
Direct docking supported
|
|
E3L051384
BDB051384
|
BDBM50298191
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(=O)c1ccc(OC)c(OCCCOC)c1)C(C)C
|
C26H45N3O6 495.661000 |
UZTWTKGFIWIYEJ-HJNYFJLDSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50298191; PubChem:CID44517740
|
Local ready
Direct docking supported
|
|
E3L051385
BDB051385
|
BDBM50298192
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(=O)c1ccc(OC)c(CCCCOC)c1)C(C)C
|
C27H47N3O5 493.689000 |
VJOSOVQVENJMHT-QDSKXPNFSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50298192; PubChem:CID45269509
|
Local ready
Direct docking supported
|
|
E3L051386
BDB051386
|
BDBM50298193
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(=O)c1ccc(OC)c(/C=C/CCOC)c1)C(C)C
|
C27H45N3O5 491.673000 |
VZVRQYQYNAGBRS-IZGRCODESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50298193; PubChem:CID45272903
|
Local ready
Direct docking supported
|
|
E3L051387
BDB051387
|
BDBM50298194
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(=O)c1ccc(OC)c(CNC(=O)OC)c1)C(C)C
|
C25H42N4O6 494.633000 |
BPPJAUKVTMVYPP-QMMLZNLJSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50298194; PubChem:CID45268578
|
Local ready
Direct docking supported
|
|
E3L051388
BDB051388
|
BDBM50298195
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(=O)c1ccc(OC)c(CCNC(=O)OC)c1)C(C)C
|
C26H44N4O6 508.660000 |
ZSZRPUJYXHTOID-COPCDDAFSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50298195; PubChem:CID45267708
|
Local ready
Direct docking supported
|
|
E3L051389
BDB051389
|
BDBM50298196
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(=O)c1ccc(C)c(OCCCOC)c1)C(C)C
|
C26H45N3O5 479.662000 |
LRTCMCOMQSPFJT-PUHATCMVSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50298196; PubChem:CID45273762
|
Local ready
Direct docking supported
|
|
E3L051390
BDB051390
|
BDBM50298197
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(=O)c1ccc(CC)c(OCCCOC)c1)C(C)C
|
C27H47N3O5 493.689000 |
ARBJTFAFEPWZAO-QDSKXPNFSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50298197; PubChem:CID45271083
|
Local ready
Direct docking supported
|
|
E3L051391
BDB051391
|
BDBM50298198
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(=O)c1ccc(Br)c(OCCCOC)c1)C(C)C
|
C25H42BrN3O5 544.531000 |
FLYYEPGUPIYISO-COPCDDAFSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50298198; PubChem:CID45271093
|
Local ready
Direct docking supported
|
|
E3L051392
BDB051392
|
BDBM50298199
C#Cc1ccc(C(=O)N(C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCC)C(C)C)cc1OCCCOC
|
C27H43N3O5 489.657000 |
ODNZUSLIDNYDNQ-QDSKXPNFSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50298199; PubChem:CID45268584
|
Local ready
Direct docking supported
|
|
E3L051393
BDB051393
|
BDBM50298200
CCCCNC(=O)[C@@H](C[C@H](O)[C@@H](N)CN(C(=O)c1ccc(CC)c(OCCCOC)c1)C(C)C)C(C)C
|
C29H51N3O5 521.743000 |
NGPMIGMGKFRAJT-GSDHBNRESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50298200; PubChem:CID45270275
|
Local ready
Direct docking supported
|
|
E3L051394
BDB051394
|
BDBM50298201
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(C)C)S(=O)(=O)c1ccc(OC)c(OCCCOC)c1
|
C25H45N3O7S 531.716000 |
HKGJUUIKGOANAU-HJNYFJLDSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50298201; PubChem:CID45267713
|
Local ready
Direct docking supported
|
|
E3L051395
BDB051395
|
BDBM50298202
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(C)C)S(=O)(=O)c1ccc(OC)cc1
|
C21H37N3O5S 443.610000 |
GGIQKEHIZONYJO-UXPWSPDFSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50298202; PubChem:CID45271101
|
Local ready
Direct docking supported
|
|
E3L051396
BDB051396
|
BDBM50298203
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(Cc1ccc(OC)c(OCCCOC)c1)C(C)C
|
C26H47N3O5 481.678000 |
SZRCOQGNTQABOL-PUHATCMVSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50298203; PubChem:CID45270278
|
Local ready
Direct docking supported
|
|
E3L051397
BDB051397
|
2,3-Seco-lupa-20(29)-en-2,3,28-trioic acid
C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@@H](CC[C@@H]4[C@@](C)(CC(=O)O)[C@H](C(C)(C)C(=O)O)CC[C@]43C)[C@H]12
|
C30H46O6 502.692000 |
NXXPFEIHYPPIGC-SATZJDOKSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50298414; PubChem:CID45482029
|
Local ready
Direct docking supported
|
|
E3L051398
BDB051398
|
BDBM50298415
C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@](C)(CC(=O)O)[C@H](C(C)(C)C(=O)O)CC[C@]43C)[C@H]12
|
C30H46O6 502.692000 |
FDSHABLAXMGQTM-VEDNGPAVSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50298415
|
Local ready
Direct docking supported
|
|
E3L051399
BDB051399
|
16beta-Hydroxy-2,3-seco-lup-20(29)-en-2,3-dioic acid
C=C(C)[C@@H]1CC[C@@]2(C)[C@@H]1[C@@H]1CC[C@@H]3[C@@](C)(CC(=O)O)[C@H](C(C)(C)C(=O)O)CC[C@@]3(C)[C@]1(C)C[C@@H]2O
|
C30H48O5 488.709000 |
UXNSCTWZRCYTPA-YHXNMXEHSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50298416; PubChem:CID45482028
|
Local ready
Direct docking supported
|
|
E3L051400
BDB051400
|
2,3-Seco-lup-20(29)-en-2,3-dioic acid
C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@@H](CC[C@@H]4[C@@](C)(CC(=O)O)[C@H](C(C)(C)C(=O)O)CC[C@]43C)[C@H]12
|
C30H48O4 472.710000 |
STMXBOBEUXVKJG-IVFNMFGASA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50298417; PubChem:CID45482030
|
Local ready
Direct docking supported
|