| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L044401
BDB044401
|
BDBM50023051
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
|
C46H62N6O8 827.036000 |
KYPYUCXTUIKBHS-LQWITFIISA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50023051
|
Local ready
Direct docking supported
|
|
E3L044402
BDB044402
|
BDBM50023052
COC(=O)[C@@H](/C=C/[C@H](CC(C)C)NC(=O)C(F)(F)C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1
|
C48H62F2N4O8 861.040000 |
AUXGYUOGBSTLSL-VBESFQFHSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50023052
|
Local ready
Direct docking supported
|
|
E3L044403
BDB044403
|
BDBM50023053
CC(C)C[C@H](NC(=O)C(F)(F)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
|
C46H62F2N6O8 865.032000 |
SWQYBCRXNWDNGY-RHIIWVEJSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50023053
|
Local ready
Direct docking supported
|
|
E3L044404
BDB044404
|
BDBM50023054
CC(C)C[C@H](NC(=O)C(F)(F)C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
|
C46H60F2N6O8 863.016000 |
LFCLHNJIEBPDPJ-LTLCPEALSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50023054
|
Local ready
Direct docking supported
|
|
E3L044405
BDB044405
|
BDBM50023055
COC(=O)[C@@H](/C=C/[C@H](CC(C)C)NC(=O)C(F)(F)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1
|
C48H64F2N4O8 863.056000 |
XMYMUHOXTXIOOE-WIHMTQGUSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50023055
|
Local ready
Direct docking supported
|
|
E3L044406
BDB044406
|
BDBM50023056
CC(C)C[C@H](NC(=O)C(F)(F)[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](/C=C/[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
|
C47H63F2N5O7 848.045000 |
WDPIRUOBORKRBD-SBGHTQQGSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50023056
|
Local ready
Direct docking supported
|
|
E3L044407
BDB044407
|
BDBM50023057
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCS(=O)(=O)C(C)C
|
C32H49N5O7S 647.839000 |
ANXBKJHIJWQCHH-DZUOILHNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50023057; PubChem:CID13891138
|
Local ready
Direct docking supported
|
|
E3L044408
BDB044408
|
BDBM50023058
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCS(=O)(=O)C(C)C
|
C34H57N3O7S 651.911000 |
JMAABOIQSWCINN-KRCBVYEFSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50023058; PubChem:CID13891144
|
Local ready
Direct docking supported
|
|
E3L044409
BDB044409
|
BDBM50023059
COc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)CCS(=O)(=O)C(C)C)cc1
|
C35H55N5O8S 705.919000 |
UPZQIWBZGUFDCQ-ORYMTKCHSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50023059
|
Local ready
Direct docking supported
|
|
E3L044410
BDB044410
|
BDBM50023060
CC(C)CCC(O)CC[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C31H53N3O6 563.780000 |
CDUJDTIHHGTRCI-MCFPKOSCSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50023060; PubChem:CID13891066
|
Local ready
Direct docking supported
|
|
E3L044411
BDB044411
|
BDBM50023061
CC(C)S(=O)(=O)CC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C37H55N3O7S 685.928000 |
WTRKSUULNDVNSA-YRCZKMHPSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50023061; PubChem:CID13891146
|
Local ready
Direct docking supported
|
|
E3L044412
BDB044412
|
BDBM50023062
CC(C)S(=O)(=O)CC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C34H53N5O7S 675.893000 |
JKJRNMWCKRTZJU-KRCBVYEFSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50023062; PubChem:CID13891128
|
Local ready
Direct docking supported
|
|
E3L044413
BDB044413
|
BDBM50023063
CCS(=O)(=O)CC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C30H49N3O7S 595.803000 |
RMNGWAGLIUSESA-PZYJALBSSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50023063; PubChem:CID13891142
|
Local ready
Direct docking supported
|
|
E3L044414
BDB044414
|
BDBM50023064
CC(C)S(=O)(=O)CC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CC(C)(C)C
|
C35H55N5O6S 673.921000 |
BJWWMAAXHWDCAX-ORYMTKCHSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50023064; PubChem:CID13891136
|
Local ready
Direct docking supported
|
|
E3L044415
BDB044415
|
BDBM50023065
CC(C)S(=O)(=O)CC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C31H51N3O7S 609.830000 |
AUNYAGQZDOFZMA-OXCFDMGDSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50023065; PubChem:CID13891140
|
Local ready
Direct docking supported
|
|
E3L044416
BDB044416
|
BDBM50023066
CC(C)CC[S+]([O-])CC[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C30H51N3O6S 581.820000 |
JPMPDUJPBTUPBU-ZRZVQAIVSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50023066; PubChem:CID13891095
|
Local ready
Direct docking supported
|
|
E3L044417
BDB044417
|
BDBM50023067
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](O)CCS(=O)(=O)CCc1ccccc1
|
C33H49N3O7S 631.836000 |
FKFRVSISPQZVCN-JSRHHAARSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50023067; PubChem:CID13891099
|
Local ready
Direct docking supported
|
|
E3L044418
BDB044418
|
BDBM50023068
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](O)CCS(=O)(=O)CC(C)C
|
C29H49N3O7S 583.792000 |
OHSLOABMMVYBJJ-LFBFJMOVSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50023068; PubChem:CID13891101
|
Local ready
Direct docking supported
|
|
E3L044419
BDB044419
|
BDBM50023070
CCS(=O)(=O)CC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C33H51N5O7S 661.866000 |
FAQKQMALCLBRHM-DZUOILHNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50023070; PubChem:CID13891130
|
Local ready
Direct docking supported
|
|
E3L044420
BDB044420
|
BDBM50023071
CC(C)CCC(=O)CC[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C31H51N3O6 561.764000 |
VIWAGKOTPBEOOX-OXCFDMGDSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50023071; PubChem:CID13891064
|
Local ready
Direct docking supported
|