| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L055541
BDB055541
|
BDBM50421762
COC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C
|
C39H65N5O10 763.974000 |
QTEOYHUYDWRRJX-NZOQYZGSSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50421762
|
Local ready
Direct docking supported
|
|
E3L055542
BDB055542
|
BDBM50421765
COC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C37H61N5O11 751.919000 |
IGVCHQOWUXBADO-RQKKIUEJSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50421765
|
Local ready
Direct docking supported
|
|
E3L055543
BDB055543
|
BDBM50421766
COC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C39H65N5O10S 796.041000 |
LKQSVTHZCZBLTM-CXZRMZRFSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50421766
|
Local ready
Direct docking supported
|
|
E3L055544
BDB055544
|
BDBM50421767
COC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)C(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C1CCCCC1
|
C42H69N5O10 804.039000 |
ASPCWFGSNWXDNM-ZKLVCABUSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50421767
|
Local ready
Direct docking supported
|
|
E3L055545
BDB055545
|
BDBM50421768
CCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)OC
|
C36H59N5O9 705.894000 |
HHJOADGWAKXNFR-VGPFALITSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50421768
|
Local ready
Direct docking supported
|
|
E3L055546
BDB055546
|
Boc-Phe-Nle-Sta-Ala-Sta-OMe
CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)OC
|
C40H67N5O10 778.001000 |
BHWORCLSCSDDIS-VJBGVNKVSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50421769; PubChem:CID13876183
|
Local ready
Direct docking supported
|
|
E3L055547
BDB055547
|
BDBM50421770
COC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C
|
C39H65N5O10 763.974000 |
QTEOYHUYDWRRJX-JAQISVHFSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50421770
|
Local ready
Direct docking supported
|
|
E3L055548
BDB055548
|
BDBM50421771
COC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](COCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C44H67N5O11 842.044000 |
VMOWTFKEBHEKNC-XJBRGVOTSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50421771
|
Local ready
Direct docking supported
|
|
E3L055549
BDB055549
|
BDBM50421772
COC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)C(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1cccs1
|
C40H61N5O10S 804.020000 |
GRQGOTDUULJPEJ-GABVPTEPSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50421772
|
Local ready
Direct docking supported
|
|
E3L055550
BDB055550
|
BDBM50421773
COC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](COCc1cccnc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C43H66N6O11 843.032000 |
YVOFIOOADFCBDQ-XRSSCVGRSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50421773
|
Local ready
Direct docking supported
|
|
E3L055551
BDB055551
|
BDBM50421774
COC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C39H65N5O12S 828.039000 |
FARVGEJJXOOVRV-CXZRMZRFSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50421774
|
Local ready
Direct docking supported
|
|
E3L055552
BDB055552
|
BDBM50421775
CCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CC(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)OC
|
C39H65N5O9 747.975000 |
ZRWALHMHAYZWEV-VJBGVNKVSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50421775
|
Local ready
Direct docking supported
|
|
E3L055553
BDB055553
|
BDBM50421776
COC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C45H66N6O10 851.055000 |
VUNTYZFHNGMIMW-XYISZGLCSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50421776
|
Local ready
Direct docking supported
|
|
E3L055554
BDB055554
|
BDBM50421777
COC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C39H64N6O11 792.972000 |
BVAYRSKEEFYBOW-AJJIMLHCSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50421777
|
Local ready
Direct docking supported
|
|
E3L055555
BDB055555
|
BDBM50421778
CCOC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)OC
|
C39H65N5O11 779.973000 |
XSDVWPQHEWMWKF-CXZRMZRFSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50421778
|
Local ready
Direct docking supported
|
|
E3L055556
BDB055556
|
BDBM50421779
COC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)C(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C1CCCC1
|
C41H67N5O10 790.012000 |
CCRXOGOQFWDYFL-UKIQNRHQSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50421779
|
Local ready
Direct docking supported
|
|
E3L055557
BDB055557
|
BDBM50421780
COC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C50H71N5O11 918.142000 |
KHNDRWDNMAGTBZ-MULZFFLYSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50421780
|
Local ready
Direct docking supported
|
|
E3L055558
BDB055558
|
BDBM50421781
COC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)Nc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C44H66N6O11 855.043000 |
JMOMFUBYTZMCPR-XRSSCVGRSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50421781
|
Local ready
Direct docking supported
|
|
E3L055559
BDB055559
|
BDBM50421782
COC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C38H62N6O11 778.945000 |
HIJUGJLSGLBXMO-RQKKIUEJSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50421782
|
Local ready
Direct docking supported
|
|
E3L055560
BDB055560
|
BDBM50421783
COC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)C(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccccc1
|
C42H63N5O10 797.991000 |
PHGDNPOOFYBGFL-ZKLVCABUSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50421783
|
Local ready
Direct docking supported
|