| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L044161
BDB044161
|
BDBM50022524
CC(C)CC(NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(=O)N1CCOCC1)Cc1cccc2ccccc12)C(O)C(=O)NC(C)C
|
C35H48N6O6 648.805000 |
IBPJGZMJBIETIK-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022524; PubChem:CID13913919
|
Local ready
Direct docking supported
|
|
E3L044162
BDB044162
|
BDBM50022525
COC(=O)C(O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(=O)N1CCOCC1)Cc1cccc2ccccc12
|
C33H43N5O7 621.735000 |
HZGNFWNTVQBRHK-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022525; PubChem:CID13913914
|
Local ready
Direct docking supported
|
|
E3L044163
BDB044163
|
Kri 1177
COC(=O)C(O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(=O)NCCc1ccccc1)Cc1cccc2ccccc12
|
C37H45N5O6 655.796000 |
UQUFRFSCUYVXBM-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022526; PubChem:CID147073
|
Local ready
Direct docking supported
|
|
E3L044164
BDB044164
|
BDBM50022527
CC(C)CC(NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(=O)N1CCOCC1)Cc1cccc2ccccc12)C(O)CC(=O)OC(C)C
|
C36H49N5O7 663.816000 |
UXEBFVSPJTVVLH-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022527; PubChem:CID13913938
|
Local ready
Direct docking supported
|
|
E3L044165
BDB044165
|
BDBM50022528
COC(=O)[C@H](O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(=O)NCCc1ccccc1)Cc1cccc2ccccc12
|
C37H45N5O6 655.796000 |
UQUFRFSCUYVXBM-UVLKUCBDSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022528; PubChem:CID44374718
|
Local ready
Direct docking supported
|
|
E3L044166
BDB044166
|
BDBM50022529
COC(=O)C(O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(=O)N1CCCCC1)Cc1cccc2ccccc12
|
C34H45N5O6 619.763000 |
JNHZXGXHSIXVBS-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022529; PubChem:CID13913924
|
Local ready
Direct docking supported
|
|
E3L044167
BDB044167
|
BDBM50022530
COC(=O)C(O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(=O)N(C)C)Cc1cccc2ccccc12
|
C31H41N5O6 579.698000 |
RZMOWKJDMKEJNI-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022530; PubChem:CID13913931
|
Local ready
Direct docking supported
|
|
E3L044168
BDB044168
|
Kri 1230
CC(C)CC(NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(=O)N1CCOCC1)Cc1cccc2ccccc12)C(O)C(=O)OC(C)C
|
C35H47N5O7 649.789000 |
LAQXJGUAIIHFMN-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022531; PubChem:CID129717
|
Local ready
Direct docking supported
|
|
E3L044169
BDB044169
|
BDBM50022532
COC(=O)[C@@H](O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(=O)NCCc1ccccc1)Cc1cccc2ccccc12
|
C37H45N5O6 655.796000 |
UQUFRFSCUYVXBM-BIRAPYSESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022532; PubChem:CID44374717
|
Local ready
Direct docking supported
|
|
E3L044170
BDB044170
|
BDBM50022581
CCCCNC(=O)[C@@H](CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(C)(OC(=O)C(C)(C)C)c1ccccc1)C(C)C
|
C36H57N5O6 655.881000 |
UJUSKJMNWWPADG-QNSHJKJTSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022581; PubChem:CID44297439
|
Local ready
Direct docking supported
|
|
E3L044171
BDB044171
|
BDBM50022582
CCCCNC(=O)[C@@H](CC(O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)CS(=O)(=O)C(C)(C)C)C(C)C
|
C39H63N5O6S 730.029000 |
GGKXIITZBSPCQP-ZPACJLJISA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022582; PubChem:CID44297462
|
Local ready
Direct docking supported
|
|
E3L044172
BDB044172
|
BDBM50022584
CCCCNC(=O)[C@@H](CC(O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(CC(=O)C(C)(C)C)Cc1ccccc1)C(C)C
|
C40H63N5O5 693.974000 |
LHKGTFAWQWEQON-ZPACJLJISA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022584; PubChem:CID44297620
|
Local ready
Direct docking supported
|
|
E3L044173
BDB044173
|
BDBM50022585
CC[C@H](C)[C@H](NC(=O)[C@@H](CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)C)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O
|
C44H68N10O7 849.091000 |
QLSLZXWHPYCOQU-VTWZNFLZSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50022585
|
Local ready
Direct docking supported
|
|
E3L044174
BDB044174
|
BDBM50022586
CCCCNC(=O)[C@@H](CC(O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)C[S+]([O-])C(C)(C)C)C(C)C
|
C39H63N5O5S 714.030000 |
WPPWZLWANGOCSE-GUPXJQLASA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50022586
|
Local ready
Direct docking supported
|
|
E3L044175
BDB044175
|
BDBM50022587
CCCCNC(=O)[C@@H](CC(O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CSC(C)(C)C)Cc1ccccc1)C(C)C
|
C39H63N5O4S 698.031000 |
HBTPJQPPELSJKJ-CTIORQKZSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50022587
|
Local ready
Direct docking supported
|
|
E3L044176
BDB044176
|
BDBM50022588
CCCCNC(=O)[C@@H](CC(O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)CP(=O)(OCC)OCC)C(C)C
|
C39H64N5O7P 745.943000 |
WSOABBGNYMCKTG-ZAMBHPDASA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022588; PubChem:CID44297444
|
Local ready
Direct docking supported
|
|
E3L044177
BDB044177
|
BDBM50022589
CC[C@H](C)[C@H](NC(=O)[C@@H](CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O
|
C44H68N10O8 865.090000 |
PKEDOLFRCPUJCF-VTWZNFLZSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50022589
|
Local ready
Direct docking supported
|
|
E3L044178
BDB044178
|
BDBM50022590
CCCCNC(=O)[C@@H](CC(O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(C)(OC(=O)C(C)(C)C)c1ccccc1)C(C)C
|
C39H61N5O6 695.946000 |
GJELDNIHACXHGF-DNBQISGPSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50022590
|
Local ready
Direct docking supported
|
|
E3L044179
BDB044179
|
BDBM50022591
CC[C@H](C)[C@H](NC(=O)[C@@H](CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(C)(OC(=O)C(C)(C)C)c1ccccc1)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O
|
C44H67N9O8 850.075000 |
OAADIKGQWZKEMI-KWHXNPDLSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50022591
|
Local ready
Direct docking supported
|
|
E3L044180
BDB044180
|
BDBM50022592
CC(C)CC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C34H53N5O5 611.828000 |
OBZJRSWYGJSTGU-KRCBVYEFSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022592; PubChem:CID14212890
|
Local ready
Direct docking supported
|