| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L044321
BDB044321
|
BDBM50022944
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CO
|
C30H39N5O6 565.671000 |
VQGRKXKDPGOWAP-CQJMVLFOSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022944; PubChem:CID13884399
|
Local ready
Direct docking supported
|
|
E3L044322
BDB044322
|
BDBM50022945
CC[C@H](C)CNC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C37H60N6O7 700.922000 |
PIKMEJCYGLUULJ-YHCBXFNRSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50022945
|
Local ready
Direct docking supported
|
|
E3L044323
BDB044323
|
BDBM50022946
CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)NCc1ccccn1
|
C44H66N8O7 819.061000 |
FVPSZQZTICXJLT-AVTNSMPVSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50022946
|
Local ready
Direct docking supported
|
|
E3L044324
BDB044324
|
BDBM50022947
CC(C)C[C@@H](C=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
|
C29H35N5O5 533.629000 |
PHTAIPSZDZRJOI-GSDHBNRESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022947; PubChem:CID88643446
|
Local ready
Direct docking supported
|
|
E3L044325
BDB044325
|
BDBM50022951
CC(C)CCNC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C35H56N6O5 640.870000 |
PACVOWSOSKLHLK-ORYMTKCHSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022951; PubChem:CID90663454
|
Local ready
Direct docking supported
|
|
E3L044326
BDB044326
|
BDBM50022952
CC(C)CCNCC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C36H58N6O5 654.897000 |
WLIIIXJGJDXNEA-YDPTYEFTSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022952; PubChem:CID90663450
|
Local ready
Direct docking supported
|
|
E3L044327
BDB044327
|
BDBM50022953
CC(C)CNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C32H50N6O6 614.788000 |
ACSYCAMBFSXMIY-FWEHEUNISA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022953; PubChem:CID15630819
|
Local ready
Direct docking supported
|
|
E3L044328
BDB044328
|
BDBM50022954
CC(C)CCNC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C36H56N6O6 668.880000 |
CZHYTXLTCPQNJW-ORYMTKCHSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50022954
|
Local ready
Direct docking supported
|
|
E3L044329
BDB044329
|
BDBM50022955
CN(C)CC(=O)NCC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C35H55N7O6 669.868000 |
XJYIIKRQGIKYAZ-KRCBVYEFSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50022955
|
Local ready
Direct docking supported
|
|
E3L044330
BDB044330
|
BDBM50022956
CC(C)CCC(=O)NCC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cn(C)cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C38H60N6O6 696.934000 |
SDSPYVJZHXJDJZ-YRCZKMHPSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50022956
|
Local ready
Direct docking supported
|
|
E3L044331
BDB044331
|
BDBM50022957
CC(C)CC(=O)NCC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C36H56N6O6 668.880000 |
VJUHOPKKAGBOIO-ORYMTKCHSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50022957
|
Local ready
Direct docking supported
|
|
E3L044332
BDB044332
|
BDBM50022958
CC(C)CCC(=O)NCC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnccn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C38H58N6O6 694.918000 |
FTSSMGDVBFEXGE-YRCZKMHPSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022958; PubChem:CID90663456
|
Local ready
Direct docking supported
|
|
E3L044333
BDB044333
|
BDBM50022959
CC(C)CCC(=O)NCC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C37H58N6O6 682.907000 |
FKORDSWCSCUNJR-YDPTYEFTSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50022959
|
Local ready
Direct docking supported
|
|
E3L044334
BDB044334
|
BDBM50022960
COc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)CCNC(=O)CCC(C)C)cc1
|
C38H60N6O7 712.933000 |
JKRQURRQRTUNRU-YRCZKMHPSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50022960
|
Local ready
Direct docking supported
|
|
E3L044335
BDB044335
|
BDBM50022961
CC(C)CCC(=O)NCC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C37H57N5O6S 699.959000 |
FDERZENCLANBJG-YDPTYEFTSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022961; PubChem:CID90663466
|
Local ready
Direct docking supported
|
|
E3L044336
BDB044336
|
BDBM50022962
CC(C)CCC(=O)NC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C36H56N6O6 668.880000 |
HCEFMLJRSYXOBV-ORYMTKCHSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50022962
|
Local ready
Direct docking supported
|
|
E3L044337
BDB044337
|
BDBM50022963
CC(C)CCC(=O)NCC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C40H60N4O6 692.942000 |
WXXRHTLFOZURGC-BBACVFHCSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022963; PubChem:CID90663460
|
Local ready
Direct docking supported
|
|
E3L044338
BDB044338
|
BDBM50022964
CC(C)CCC(=O)NCC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccncc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C39H59N5O6 693.930000 |
AWYIUIRESYDMML-CUPIEXAXSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022964; PubChem:CID90663459
|
Local ready
Direct docking supported
|
|
E3L044339
BDB044339
|
BDBM50022965
CC(C)CCC(=O)NCC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cncn1C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C38H60N6O6 696.934000 |
PHFYCDDPQDQIQC-YRCZKMHPSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50022965
|
Local ready
Direct docking supported
|
|
E3L044340
BDB044340
|
BDBM50022966
CC(C)CC(=O)NC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C35H54N6O6 654.853000 |
IKKOPELNEKNAMF-KRCBVYEFSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50022966
|
Local ready
Direct docking supported
|