| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L043341
BDB043341
|
BDBM50006150
COCOC1CCN(C(=O)[C@H](Cc2ccccc2)O[C@@H](C)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)CC1
|
C33H54N2O7 590.802000 |
FLKKPAAZPZQROZ-JVNIQAMJSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50006150; PubChem:CID15172807
|
Local ready
Direct docking supported
|
|
E3L043342
BDB043342
|
BDBM50006151
CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(OCS(C)(=O)=O)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
|
C36H60N2O8S 680.949000 |
SLXJIYPCVXJXJL-PJRHAEEISA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50006151; PubChem:CID15172796
|
Local ready
Direct docking supported
|
|
E3L043343
BDB043343
|
BDBM50006152
CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
|
C36H60N2O7 632.883000 |
DBBZYJFNVAEBCZ-PJRHAEEISA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50006152; PubChem:CID15172783
|
Local ready
Direct docking supported
|
|
E3L043344
BDB043344
|
BDBM50006153
CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
|
C37H62N2O6 630.911000 |
IOOKFDQVIKTNJC-PRTBYXSSSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50006153; PubChem:CID15172806
|
Local ready
Direct docking supported
|
|
E3L043345
BDB043345
|
BDBM50006154
CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(OC[S+](C)[O-])CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
|
C36H60N2O7S 664.950000 |
AVIBNXOCHFWNOZ-CETRVKHXSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50006154; PubChem:CID15172795
|
Local ready
Direct docking supported
|
|
E3L043346
BDB043346
|
BDBM50006155
CCCC[C@@H](N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
|
C33H55N3O5 573.819000 |
TYOBVSWYHQVCEW-MOUVJORGSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50006155; PubChem:CID15172742
|
Local ready
Direct docking supported
|
|
E3L043347
BDB043347
|
BDBM50006156
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](C)O[C@@H](Cc1ccccc1)C(=O)N1CCOCC1
|
C30H48N2O6 532.722000 |
YPMAUCBIHPUZLO-CPFCZLQXSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50006156; PubChem:CID15172797
|
Local ready
Direct docking supported
|
|
E3L043348
BDB043348
|
BDBM50006157
CCCCNC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCC)N[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(C)C
|
C41H70N4O6 715.033000 |
OBBRBRRENXVFRT-LQWITFIISA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006157
|
Local ready
Direct docking supported
|
|
E3L043349
BDB043349
|
BDBM50006158
CC(C)CC(N[C@@H](CCc1ccccc1)C(=O)OC(C)(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
|
C34H58N2O5 574.847000 |
TUJGVDYJTTTXSS-DAWAETFMSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50006158; PubChem:CID15172737
|
Local ready
Direct docking supported
|
|
E3L043350
BDB043350
|
BDBM50006159
CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
|
C33H54N2O6 574.803000 |
SKPVDDCIGPTRMX-STVCLKQXSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50006159; PubChem:CID15172798
|
Local ready
Direct docking supported
|
|
E3L043351
BDB043351
|
BDBM50006160
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(C)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1
|
C30H49N3O5 531.738000 |
FXDUGRSXXWXCQP-XFQWNMJESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50006160; PubChem:CID15172740
|
Local ready
Direct docking supported
|
|
E3L043352
BDB043352
|
BDBM50006161
CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
|
C36H61N3O6 631.899000 |
STRPKSLUAAKNIH-PJRHAEEISA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50006161; PubChem:CID15172790
|
Local ready
Direct docking supported
|
|
E3L043353
BDB043353
|
BDBM50006162
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](C)O[C@@H](Cc1ccccc1)C(=O)N1CCCC1
|
C30H48N2O5 516.723000 |
MNVNYGNSQSYQTB-CPFCZLQXSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50006162; PubChem:CID15172802
|
Local ready
Direct docking supported
|
|
E3L043354
BDB043354
|
BDBM50006163
CCOC(=O)C(CCc1ccccc1)N[C@@H](C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
|
C29H48N2O5 504.712000 |
VZHXIXMIDOZYSW-WLAADAIHSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50006163; PubChem:CID15172736
|
Local ready
Direct docking supported
|
|
E3L043355
BDB043355
|
BDBM50006164
CCNC(=O)[C@H](Cc1ccccc1)O[C@@H](C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
|
C28H46N2O5 490.685000 |
JJBDIVLVJYMPCP-KLSDWBHSSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50006164; PubChem:CID15172799
|
Local ready
Direct docking supported
|
|
E3L043356
BDB043356
|
BDBM50006165
CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(O)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
|
C34H56N2O6 588.830000 |
QJUJAQHXTXIXTM-QEUNAIBPSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50006165; PubChem:CID15172793
|
Local ready
Direct docking supported
|
|
E3L043357
BDB043357
|
BDBM50006166
CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(OCCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
|
C37H63N3O6 645.926000 |
LUOIHJHGWSMHST-PRTBYXSSSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50006166; PubChem:CID15172808
|
Local ready
Direct docking supported
|
|
E3L043358
BDB043358
|
BDBM50006167
CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(OCSC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
|
C36H60N2O6S 648.951000 |
UPHOZSILFMPAHS-PJRHAEEISA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50006167; PubChem:CID15172794
|
Local ready
Direct docking supported
|
|
E3L043359
BDB043359
|
BDBM50006168
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](C)O[C@@H](Cc1ccccc1)C(=O)N1CCC1
|
C29H46N2O5 502.696000 |
QGBUXJRUMFLUCI-LRQPEXKUSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50006168; PubChem:CID15172801
|
Local ready
Direct docking supported
|
|
E3L043360
BDB043360
|
BDBM50006169
CCCCC1CCN(C(=O)[C@H](Cc2ccccc2)O[C@@H](CCCC)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)CC1
|
C38H64N2O5 628.939000 |
AMJSWVFWQUQBKY-CPDVWBMRSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50006169; PubChem:CID15172809
|
Local ready
Direct docking supported
|