| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L043421
BDB043421
|
BDBM50006433
Cn1ccnc1SC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C34H49N7O5S 667.877000 |
RZVUQSWEVREBLV-DZUOILHNSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006433
|
Local ready
Direct docking supported
|
|
E3L043422
BDB043422
|
BDBM50006434
C[n+]1ccc(CCn2nnnc2SC[C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1
|
C39H55N10O5S+ 776.001000 |
CHDQZJAFNHXVRX-CUPIEXAXSA-O | P00797 | Renin |
BindingDB
BindingDB:BDBM50006434
|
Local ready
Direct docking supported
|
|
E3L043423
BDB043423
|
BDBM50006435
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSc1nnnn1CC(=O)O
|
C33H47N9O7S 713.862000 |
ALVONKJSVBZOQC-FWEHEUNISA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006435
|
Local ready
Direct docking supported
|
|
E3L043424
BDB043424
|
BDBM50006436
Cn1cnnc1SC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C33H48N8O5S 668.865000 |
URFMEBBTUNNWQS-LJWNLINESA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006436
|
Local ready
Direct docking supported
|
|
E3L043425
BDB043425
|
BDBM50006437
C=CCn1c(SC[C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)nnc1C(F)(F)F
|
C36H49F3N8O5S 762.900000 |
LYOZGIBVUDABSX-DZUOILHNSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006437
|
Local ready
Direct docking supported
|
|
E3L043426
BDB043426
|
BDBM50006438
Cn1c(SC[C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)nnc1C(F)(F)F
|
C34H47F3N8O5S 736.862000 |
OEKUCHURQVIYCZ-FWEHEUNISA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006438
|
Local ready
Direct docking supported
|
|
E3L043427
BDB043427
|
BDBM50006439
CN1CCN(C(=O)Cn2nnnc2SC[C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1
|
C38H57N11O6S 796.012000 |
VMFSYJVCOABCNM-YDPTYEFTSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006439
|
Local ready
Direct docking supported
|
|
E3L043428
BDB043428
|
BDBM50006440
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CS(=O)(=O)c1nnnn1CCc1cc[n+]([O-])cc1
|
C38H52N10O8S 808.963000 |
JSAGYYNASYITPZ-YRCZKMHPSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006440
|
Local ready
Direct docking supported
|
|
E3L043429
BDB043429
|
BDBM50006843
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)c1csc(N)n1
|
C32H50N6O7S2 694.921000 |
PZESREMCLYKFKF-XLZVNLJPSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50006843; PubChem:CID44320565
|
Local ready
Direct docking supported
|
|
E3L043430
BDB043430
|
CI 992
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1csc(N)n1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
|
C33H52N6O7S2 708.948000 |
QGJKHQRFJGLJLV-VFFRCKCKSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50006844; PubChem:CID9875002
|
Local ready
Direct docking supported
|
|
E3L043431
BDB043431
|
BDBM50006845
COc1ccc(C[C@H](NS(=O)(=O)N2CCOCC2)C(=O)N[C@@H](Cc2csc(N)n2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)cc1
|
C34H54N6O8S2 738.974000 |
QLXHRYKGTCSNKH-STVCLKQXSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50006845; PubChem:CID44320162
|
Local ready
Direct docking supported
|
|
E3L043432
BDB043432
|
BDBM50006846
CCOC(=O)C(F)(F)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1csc(N)n1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
|
C32H44F2N6O8S2 742.868000 |
ZEYSVLZKQXCERB-GSDHBNRESA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006846
|
Local ready
Direct docking supported
|
|
E3L043433
BDB043433
|
BDBM50006847
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](Cc1csc(N)n1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
|
C33H52N6O7S2 708.948000 |
QGJKHQRFJGLJLV-PBIKNJLJSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006847
|
Local ready
Direct docking supported
|
|
E3L043434
BDB043434
|
BDBM50006848
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1csc(N)n1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCNCC1
|
C33H53N7O6S2 707.964000 |
BZCJAFFUHZRXMP-VFFRCKCKSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50006848; PubChem:CID44320564
|
Local ready
Direct docking supported
|
|
E3L043435
BDB043435
|
BDBM50006849
Nc1nc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)N2CCOCC2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)C(F)(F)C(=O)NCCN2CCOCC2)cs1
|
C36H54F2N8O8S2 829.006000 |
AWFZFBWKAUOZBA-XHPANXIASA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006849
|
Local ready
Direct docking supported
|
|
E3L043436
BDB043436
|
BDBM50006850
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
|
C33H51N5O7S2 693.933000 |
VAEFWYXBOVOBHR-STVCLKQXSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50006850; PubChem:CID14990030
|
Local ready
Direct docking supported
|
|
E3L043437
BDB043437
|
BDBM50006851
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
|
C36H54N4O7S 686.916000 |
OPQKDEDGEANJNG-PJRHAEEISA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50006851; PubChem:CID44320156
|
Local ready
Direct docking supported
|
|
E3L043438
BDB043438
|
BDBM50006852
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCc1csc(N)n1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
|
C34H54N6O7S2 722.975000 |
BGQTXDXVVKCELD-STVCLKQXSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50006852; PubChem:CID44320175
|
Local ready
Direct docking supported
|
|
E3L043439
BDB043439
|
BDBM50006853
COC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
|
C31H50N4O9S 654.827000 |
IEWAGORIVPFRDB-APNLASKRSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50006853; PubChem:CID14861679
|
Local ready
Direct docking supported
|
|
E3L043440
BDB043440
|
BDBM50006854
CC[C@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1csc(N)n1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
|
C32H50N6O7S2 694.921000 |
YYDXQNFKEUELPQ-ZIUUJSQJSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50006854; PubChem:CID44320597
|
Local ready
Direct docking supported
|