| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L034641
BDB034641
|
BDBM698961
CO[C@H]1C[C@H](Nc2cc(C3CC3)cnc2C(=O)N(CC(C)C)C2CNC[C@H](c3nnc(C4CC(F)(F)C4)o3)C2)C1
|
C29H40F2N6O3 558.674000 |
RIRXNXACJXDOLM-AGXQJBSZSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM698961
|
Local ready
Direct docking supported
|
|
E3L034642
BDB034642
|
US20240327385, Example 17
CC(C)CN(C(=O)c1ncc(C2CC2)cc1NC1CC1)[C@@H]1CNC[C@H](C(=O)N2CCOCC2)C1
|
C26H39N5O3 469.630000 |
YSYRAVWDDZOJHX-IRLDBZIGSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM698962; PubChem:CID171482660
|
Local ready
Direct docking supported
|
|
E3L034643
BDB034643
|
BDBM698963
CO[C@H]1C[C@H](Nc2cc(C3CC3)cnc2C(=O)N(CC(C)C)[C@H]2CCCNC2)C1
|
C23H36N4O2 400.567000 |
CDUMCXJCWJOOOL-UFYCRDLUSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM698963
|
Local ready
Direct docking supported
|
|
E3L034644
BDB034644
|
BDBM698964
CC[C@H]1COCCN1C(=O)[C@H]1CNC[C@@H](N(CC(C)C)C(=O)c2ncc(C3CC3)cc2N[C@H]2C[C@H](OC)C2)C1
|
C30H47N5O4 541.737000 |
HEGJDZSDMYYVJB-PUHDZGQXSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM698964
|
Local ready
Direct docking supported
|
|
E3L034645
BDB034645
|
BDBM698965
CO[C@H]1C[C@H](Nc2cc(C3CC3)cnc2C(=O)N(CC(C)C)[C@@H]2CNC[C@H](c3noc(C)n3)C2)C1
|
C26H38N6O3 482.629000 |
UUEAZEZFYMLOAQ-YUMYIRISSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM698965
|
Local ready
Direct docking supported
|
|
E3L034646
BDB034646
|
BDBM698966
CO[C@H]1C[C@H](Nc2cc(C3CC3)cnc2C(=O)N(CC(C)C)[C@@H]2CNC[C@H](c3nc(C)no3)C2)C1
|
C26H38N6O3 482.629000 |
KDTFOCZMBBNYGJ-YUMYIRISSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM698966
|
Local ready
Direct docking supported
|
|
E3L034647
BDB034647
|
US20240327385, Example 22
CC(C)CN(C(=O)c1ncc(C2CC2)cc1NC1COC1)[C@@H]1CNC[C@H](C(=O)N2CCOCC2)C1
|
C26H39N5O4 485.629000 |
APWCVJYIACHXPL-IRLDBZIGSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM698967; PubChem:CID171482657
|
Local ready
Direct docking supported
|
|
E3L034648
BDB034648
|
BDBM698968
CO[C@H]1C[C@H](Nc2cccnc2C(=O)N(CC(C)C)[C@@H]2CNCC(c3nnc(C4CC4)o3)C2)C1
|
C25H36N6O3 468.602000 |
UWOTUTWOIKVCGV-NIVVRJPPSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM698968
|
Local ready
Direct docking supported
|
|
E3L034649
BDB034649
|
US20240327385, Example 24
CC(C)CN(C(=O)c1ncc(C2CC2)cc1NC1COC1)[C@@H]1CNCC(c2nnc(C3CC3)o2)C1
|
C26H36N6O3 480.613000 |
OIQOHKDMIVQXNS-QWAKEFERSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM698969; PubChem:CID171482649
|
Local ready
Direct docking supported
|
|
E3L034650
BDB034650
|
BDBM698970
CO[C@H]1C[C@H](Nc2cc(C3CC3)nnc2C(=O)N(CC(C)C)[C@@H]2CNC[C@H](C(=O)N3CCOC[C@@H]3C)C2)C1
|
C28H44N6O4 528.698000 |
MAKDSSUFHAPNHQ-UVVBHOOISA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM698970
|
Local ready
Direct docking supported
|
|
E3L034651
BDB034651
|
BDBM698971
CO[C@H]1C[C@H](Nc2cc(C3CC3)cnc2C(=O)N(CC(C)C)[C@@H]2CNCC(c3nnc(C4COC4)o3)C2)C1
|
C28H40N6O4 524.666000 |
WVDOQBDRCAIHJS-UFLDAFBVSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM698971
|
Local ready
Direct docking supported
|
|
E3L034652
BDB034652
|
BDBM698972
CO[C@H]1C[C@H](Nc2cc(C3CC3)cnc2C(=O)N(CC(C)C)[C@@H]2CNC[C@H](CO)C2)C1
|
C24H38N4O3 430.593000 |
MPBZWYMFZXZNIX-RZXSNQJFSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM698972
|
Local ready
Direct docking supported
|
|
E3L034653
BDB034653
|
US20240327385, Example 28
CC(C)CN(C(=O)c1ncc(C2CC2)cc1NC1COC1)[C@H]1CCCNC1
|
C21H32N4O2 372.513000 |
PYQGYDMEYKZSFF-SFHVURJKSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM698973; PubChem:CID171482656
|
Local ready
Direct docking supported
|
|
E3L034654
BDB034654
|
US20240327385, Example 29
Cc1nnc(C2CNC[C@@H](N(CC(C)C)C(=O)c3ncc(C4CC4)cc3NC3COC3)C2)o1
|
C24H34N6O3 454.575000 |
PFQQSCINIAKPQL-IJHRGXPZSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM698974; PubChem:CID171482650
|
Local ready
Direct docking supported
|
|
E3L034655
BDB034655
|
US20240327385, Example 30
Cc1noc(C2CNC[C@@H](N(CC(C)C)C(=O)c3ncc(C4CC4)cc3NC3COC3)C2)n1
|
C24H34N6O3 454.575000 |
WSNCUPJCZVUKCY-IJHRGXPZSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM698975; PubChem:CID171482652
|
Local ready
Direct docking supported
|
|
E3L034656
BDB034656
|
BDBM698976
CO[C@H]1C[C@H](Nc2cc(C3CC3)cnc2C(=O)N(CC(C)C)[C@@H]2CNC[C@H](c3ncon3)C2)C1
|
C25H36N6O3 468.602000 |
UPAHJRIBNVPSKE-MXEMCNAFSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM698976
|
Local ready
Direct docking supported
|
|
E3L034657
BDB034657
|
BDBM698977
CO[C@H]1C[C@H](Nc2cc(C3CC3)cnc2C(=O)N(CC(C)C)[C@@H]2CNC[C@H](c3nnco3)C2)C1
|
C25H36N6O3 468.602000 |
NTQPNMGLGPWHRI-MXEMCNAFSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM698977
|
Local ready
Direct docking supported
|
|
E3L034658
BDB034658
|
BDBM698978
CO[C@H]1C[C@H](Nc2cc(C3CC3)cnc2C(=O)N(CC2CC2)[C@@H]2CNC[C@H](c3nnc(C)o3)C2)C1
|
C26H36N6O3 480.613000 |
RRHLHXXWUIDNMR-YUMYIRISSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM698978
|
Local ready
Direct docking supported
|
|
E3L034659
BDB034659
|
US20240327385, Example 34
CC(C)CN(C(=O)c1ncc(C2CC2)cc1NC1COC1)[C@@H]1CNC[C@H](c2ncon2)C1
|
C23H32N6O3 440.548000 |
NTRWFJKXRPDLLU-MJGOQNOKSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM698979; PubChem:CID172179970
|
Local ready
Direct docking supported
|
|
E3L034660
BDB034660
|
US20240327385, Example 35
CC(C)CN(C(=O)c1ncc(C(F)(F)F)cc1NC1COC1)[C@@H]1CNC[C@H](C(=O)N2CCOCC2)C1
|
C24H34F3N5O4 513.561000 |
LMHVWGWIHCSPPT-APWZRJJASA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM698980; PubChem:CID171482653
|
Local ready
Direct docking supported
|