| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L044861
BDB044861
|
BDBM50045685
CSC[C@H](NC(=O)[C@@H](CC(=O)N1CCC(N)CC1)Cc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1
|
C37H55N5O5S 681.944000 |
CODOKNHEUZGLDK-JUPBFQDBSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50045685; PubChem:CID44327253
|
Local ready
Direct docking supported
|
|
E3L044862
BDB044862
|
BDBM50045686
NC1CCN(C(=O)C[C@@H](Cc2cccc3ccccc23)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CCc2ccccn2)CC1
|
C43H57N7O5 751.973000 |
BEJMWNCMHLRCBU-KHXYGZCGSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50045686
|
Local ready
Direct docking supported
|
|
E3L044863
BDB044863
|
BDBM50045687
CC(C)(C)S(=O)(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1
|
C37H53N5O6S 695.927000 |
FNYQDTGFSCTEML-LSOHEVAPSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50045687; PubChem:CID44327639
|
Local ready
Direct docking supported
|
|
E3L044864
BDB044864
|
BDBM50045688
CCOC(=O)CCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1
|
C40H56N6O7 732.923000 |
OBDCVYACZSZHHK-XGFVCYCPSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50045688
|
Local ready
Direct docking supported
|
|
E3L044865
BDB044865
|
BDBM50045689
COc1ccc(C[C@H](NC(=O)[C@H]2CC[C@@H](N)CC2)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CCc2ccccn2)cc1
|
C40H57N7O6 731.939000 |
UWRJTWQMYYXAMK-QPUIUCOSSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50045689
|
Local ready
Direct docking supported
|
|
E3L044866
BDB044866
|
BDBM50045690
O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1
|
C38H52N6O6 688.870000 |
ANIGPMUHHIUEKJ-DIIQFSBDSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50045690; PubChem:CID44327316
|
Local ready
Direct docking supported
|
|
E3L044867
BDB044867
|
BDBM50045691
CN(CCN(C)C(=O)N1CCOCC1)C(=O)O[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1
|
C42H60N8O8 804.990000 |
IYZGPHKBRHGQNR-OWIVKRMQSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50045691
|
Local ready
Direct docking supported
|
|
E3L044868
BDB044868
|
BDBM50045692
N[C@H]1CC[C@@H](S(=O)(=O)C[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CCc2ccccn2)CC1
|
C39H56N6O6S 736.980000 |
HWDWKENICFREGU-ZEEYVEDHSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50045692
|
Local ready
Direct docking supported
|
|
E3L044869
BDB044869
|
BDBM50045693
NC1CCN(C(=O)O[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CCc2ccccn2)CC1
|
C38H53N7O6 703.885000 |
BIQGFPZYIFLDHW-PRTBYXSSSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50045693
|
Local ready
Direct docking supported
|
|
E3L044870
BDB044870
|
BDBM50046770
CCCC[C@H](NC(=O)[C@@H](CC(=O)N1CCN(C)CC1)Cc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
|
C36H60N4O5 628.899000 |
GYFADZPQYYAUQG-KAAJUZHGSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50046770; PubChem:CID10461649
|
Local ready
Direct docking supported
|
|
E3L044871
BDB044871
|
BDBM50046771
CCN1C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CC(C)(C)N)OC1=O
|
C36H53N5O7S 699.915000 |
TUHDBWXMKMTGCV-WRPDIKACSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50046771
|
Local ready
Direct docking supported
|
|
E3L044872
BDB044872
|
BDBM50046772
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CN(C)C)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1
|
C34H56N4O6 616.844000 |
YWBICMHJWOGVGL-MCLUNMOSSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50046772; PubChem:CID10031765
|
Local ready
Direct docking supported
|
|
E3L044873
BDB044873
|
BDBM50046773
CCN1C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CC(C)(C)N)OC1=O
|
C35H53N7O7 683.851000 |
IEMSYEBYMKGXDX-NWBQTEKMSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50046773
|
Local ready
Direct docking supported
|
|
E3L044874
BDB044874
|
BDBM50046774
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cn1cccn1)NC(=O)[C@@H](CC(=O)N1CCN(C)CC1)Cc1ccccc1
|
C36H56N6O5 652.881000 |
NWZYWWXWHYBAHC-KAAJUZHGSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50046774; PubChem:CID10326954
|
Local ready
Direct docking supported
|
|
E3L044875
BDB044875
|
BDBM50046775
COc1ccc(C[C@H](NC(=O)C2CCN(C)CC2)C(=O)N[C@@H](Cc2cscn2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)cc1
|
C37H57N5O6S 699.959000 |
UDNLZERMUNITOB-PJRHAEEISA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50046775
|
Local ready
Direct docking supported
|
|
E3L044876
BDB044876
|
BDBM50046776
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@@H](CC(=O)N1CCN(C)CC1)Cc1ccccc1
|
C36H55N5O5S 669.933000 |
DBYNXNHZNXGNOG-YVNNRUMDSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50046776; PubChem:CID9917812
|
Local ready
Direct docking supported
|
|
E3L044877
BDB044877
|
BDBM50046777
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cn(C)cn1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1
|
C36H55N5O6 653.865000 |
DSZGOKARGFBAHP-YVNNRUMDSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50046777; PubChem:CID44361024
|
Local ready
Direct docking supported
|
|
E3L044878
BDB044878
|
BDBM50046778
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@@H](CC(=O)CN1CCOCC1)Cc1ccccc1
|
C36H54N4O6S 670.917000 |
OUOZYQAPXHHIIQ-LSOHEVAPSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50046778
|
Local ready
Direct docking supported
|
|
E3L044879
BDB044879
|
BDBM50046779
COc1ccc(C[C@H](NC(=O)CC(C)(C)N)C(=O)N[C@@H](Cc2cscn2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)cc1
|
C35H55N5O6S 673.921000 |
HNBXPQHKNAVDFZ-WRPDIKACSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50046779; PubChem:CID10462166
|
Local ready
Direct docking supported
|
|
E3L044880
BDB044880
|
BDBM50046780
COc1ccc(C[C@H](NC(=O)CC(C)(C)N)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)cc1
|
C36H56N4O6S 672.933000 |
XIJHLLKKRDODMA-VDYFTJCESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50046780; PubChem:CID11765063
|
Local ready
Direct docking supported
|