| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L044201
BDB044201
|
BDBM50022615
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CC(C)(C)C
|
C35H55N5O5 625.855000 |
BISINJVLQYCTJX-WRPDIKACSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022615; PubChem:CID14212939
|
Local ready
Direct docking supported
|
|
E3L044202
BDB044202
|
BDBM50022616
CCOC(=O)N[C@@H](Cc1ccc(OC)cc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
|
C33H51N5O7 629.799000 |
WCLMPLYVIIQBDV-VFFRCKCKSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022616; PubChem:CID14212956
|
Local ready
Direct docking supported
|
|
E3L044203
BDB044203
|
BDBM50022617
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
|
C31H59N3O6 569.828000 |
PRLCTKJTMFZULZ-JSLVBRCRSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022617; PubChem:CID90662860
|
Local ready
Direct docking supported
|
|
E3L044204
BDB044204
|
BDBM50022618
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C31H51N3O6 561.764000 |
QMTPNYMKFQEHJJ-LRQPEXKUSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022618; PubChem:CID14212911
|
Local ready
Direct docking supported
|
|
E3L044205
BDB044205
|
BDBM50022619
CC(C)CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
|
C33H53N5O4 583.818000 |
IEOVLRDXARFDHB-STVCLKQXSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022619; PubChem:CID118718104
|
Local ready
Direct docking supported
|
|
E3L044206
BDB044206
|
BDBM50022620
CC(C)COC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
|
C34H53N5O6 627.827000 |
BAOZWCQPDXWGKQ-STVCLKQXSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022620; PubChem:CID14212937
|
Local ready
Direct docking supported
|
|
E3L044207
BDB044207
|
BDBM50022621
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OCc1ccccc1)[C@@H](O)CCO
|
C35H43N5O6 629.758000 |
WRZHRSLTVLZDMT-YDPTYEFTSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022621; PubChem:CID13420933
|
Local ready
Direct docking supported
|
|
E3L044208
BDB044208
|
BDBM50022624
C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C31H47N5O6 585.746000 |
LYNCFZTUAUZVIM-KKASSDGMSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022624; PubChem:CID14212967
|
Local ready
Direct docking supported
|
|
E3L044209
BDB044209
|
BDBM50022625
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C37H55N3O6 637.862000 |
SSWFYPMOKKEYND-PMUGGPHNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022625; PubChem:CID14212913
|
Local ready
Direct docking supported
|
|
E3L044210
BDB044210
|
BDBM50022626
C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CO
|
C27H43N3O6 505.656000 |
GVZVODMOEDMNLF-QGQQZZQASA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022626; PubChem:CID14212884
|
Local ready
Direct docking supported
|
|
E3L044211
BDB044211
|
BDBM50022627
C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@H](CO)CC1CCCCC1
|
C26H41N3O5 475.630000 |
RDDQNTHNSQSBAC-NYVOZVTQSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022627; PubChem:CID14212882
|
Local ready
Direct docking supported
|
|
E3L044212
BDB044212
|
BDBM50022628
CSC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
|
C32H53N3O6S 607.858000 |
NFJRCRRYYADAGX-AJIIGFCHSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022628; PubChem:CID14212917
|
Local ready
Direct docking supported
|
|
E3L044213
BDB044213
|
BDBM50022629
CCOC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
|
C29H55N3O6 541.774000 |
OAFXIYWBKGSXMT-WBAQKLHDSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022629; PubChem:CID447925
|
Local ready
Direct docking supported
|
|
E3L044214
BDB044214
|
BDBM50022630
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCCCC1
|
C36H55N5O5 637.866000 |
MNIQOVCTZZATAK-PMUGGPHNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022630; PubChem:CID14212950
|
Local ready
Direct docking supported
|
|
E3L044215
BDB044215
|
BDBM50022631
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)NC(C)(C)C
|
C34H54N6O5 626.843000 |
ALHNYWQZFSMNCF-VFFRCKCKSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022631; PubChem:CID14212941
|
Local ready
Direct docking supported
|
|
E3L044216
BDB044216
|
BDBM50022632
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)NC(=O)OC(C)(C)C
|
C28H49N5O6 551.729000 |
NMGFFMKFCXDCLL-KGZUAYNTSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022632; PubChem:CID14212932
|
Local ready
Direct docking supported
|
|
E3L044217
BDB044217
|
BDBM50022633
CCOC(=O)N[C@@H](Cc1ccc(OC)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
|
C33H55N3O7 605.817000 |
WFUFILWJHBEQLW-VFFRCKCKSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022633; PubChem:CID14212954
|
Local ready
Direct docking supported
|
|
E3L044218
BDB044218
|
BDBM50022634
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OC(C)(C)C
|
C38H55N5O6 677.887000 |
BIPMVYGWVVVNDJ-PJRHAEEISA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022634; PubChem:CID14212927
|
Local ready
Direct docking supported
|
|
E3L044219
BDB044219
|
BDBM50022635
CCOC(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
|
C36H55N3O6 625.851000 |
OXOGAWIYICHTIV-PMUGGPHNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022635; PubChem:CID14212952
|
Local ready
Direct docking supported
|
|
E3L044220
BDB044220
|
BDBM50022636
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC
|
C30H49N3O6 547.737000 |
GLVMEDLGIQJVEO-JSLVBRCRSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022636; PubChem:CID14212980
|
Local ready
Direct docking supported
|