| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L044181
BDB044181
|
BDBM50022593
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
|
C35H51N3O6 609.808000 |
GHEXDRHJDZWBBA-QEUNAIBPSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022593; PubChem:CID14212958
|
Local ready
Direct docking supported
|
|
E3L044182
BDB044182
|
BDBM50022594
C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@H](C=O)CC1CCCCC1
|
C26H39N3O5 473.614000 |
HAUFZJHUBGODKD-NYVOZVTQSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022594; PubChem:CID15601554
|
Local ready
Direct docking supported
|
|
E3L044183
BDB044183
|
BDBM50022595
CCOC(=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
|
C32H49N5O6 599.773000 |
LCDLQXVYSDOBGF-MYHRABSESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022595; PubChem:CID14212904
|
Local ready
Direct docking supported
|
|
E3L044184
BDB044184
|
BDBM50022597
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(C)C
|
C32H53N3O6 575.791000 |
FRUPEHGUWUSLCV-MYHRABSESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022597; PubChem:CID14212906
|
Local ready
Direct docking supported
|
|
E3L044185
BDB044185
|
BDBM50022598
CC[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
|
C32H49N5O6 599.773000 |
WMHWGMQPNICOEQ-OBBCHVIHSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022598; PubChem:CID14212970
|
Local ready
Direct docking supported
|
|
E3L044186
BDB044186
|
BDBM50022599
CC(C)C[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
|
C34H57N3O6 603.845000 |
OSLWIMPJHZHRNB-VFFRCKCKSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022599; PubChem:CID13851544
|
Local ready
Direct docking supported
|
|
E3L044187
BDB044187
|
BDBM50022600
CCOC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
|
C29H51N5O6 565.756000 |
CXHKFZTXXRBAAN-WBAQKLHDSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022600; PubChem:CID14212909
|
Local ready
Direct docking supported
|
|
E3L044188
BDB044188
|
BDBM50022602
CC(C)C[C@@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OCc1ccccc1
|
C33H39N5O5 585.705000 |
VODBRVLHQSOGQG-BKHJTQGXSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022602; PubChem:CID13420917
|
Local ready
Direct docking supported
|
|
E3L044189
BDB044189
|
BDBM50022603
CCOC(=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
|
C30H45N5O6 571.719000 |
VKXQOMABPRDFBR-JSLVBRCRSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022603; PubChem:CID14212977
|
Local ready
Direct docking supported
|
|
E3L044190
BDB044190
|
BDBM50022604
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](O)[C@@H](O)CC(C)C
|
C31H49N5O6 587.762000 |
DNIOBUSPWFAGAF-JSLVBRCRSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022604; PubChem:CID14212893
|
Local ready
Direct docking supported
|
|
E3L044191
BDB044191
|
BDBM50022605
CC(C)CC[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C31H49N5O5 571.763000 |
RLQYVIBTMGXQBU-FWEHEUNISA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022605; PubChem:CID13893236
|
Local ready
Direct docking supported
|
|
E3L044192
BDB044192
|
BDBM50022606
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CO
|
C30H45N5O6 571.719000 |
OAEFYSDRYHAJLP-CQJMVLFOSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022606; PubChem:CID14212965
|
Local ready
Direct docking supported
|
|
E3L044193
BDB044193
|
BDBM50022607
COc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)cc1
|
C35H55N5O7 657.853000 |
IHXQKCRTBPLHBR-STVCLKQXSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022607; PubChem:CID14212929
|
Local ready
Direct docking supported
|
|
E3L044194
BDB044194
|
BDBM50022608
CC(C)C[C@@H](C=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OCc1ccccc1
|
C33H37N5O5 583.689000 |
ZUEGHEHOPXDNRU-BKHJTQGXSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022608; PubChem:CID13420901
|
Local ready
Direct docking supported
|
|
E3L044195
BDB044195
|
BDBM50022609
CC(C)CC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C31H51N3O5 545.765000 |
XCDONWZWXBVHNA-OXCFDMGDSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022609; PubChem:CID14212887
|
Local ready
Direct docking supported
|
|
E3L044196
BDB044196
|
BDBM50022610
CC(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
|
C33H51N5O6 613.800000 |
MDQKYAZAQYFQOX-MYHRABSESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022610; PubChem:CID14212972
|
Local ready
Direct docking supported
|
|
E3L044197
BDB044197
|
BDBM50022611
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cn1cccn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C34H53N5O6 627.827000 |
TVLKXRWKHJLZHN-VFFRCKCKSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022611; PubChem:CID90662853
|
Local ready
Direct docking supported
|
|
E3L044198
BDB044198
|
BDBM50022612
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](O)CO
|
C24H39N3O6 465.591000 |
IBPJLRLFYIMNTA-LEAZDLGRSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022612; PubChem:CID14212875
|
Local ready
Direct docking supported
|
|
E3L044199
BDB044199
|
BDBM50022613
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)OC(C)(C)C
|
C34H53N5O6 627.827000 |
RRTBHYJKYDWRDY-VFFRCKCKSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022613; PubChem:CID14212896
|
Local ready
Direct docking supported
|
|
E3L044200
BDB044200
|
BDBM50022614
CC(C)CC[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C28H47N3O5 505.700000 |
HVKMWGBKUVLCGH-BIHRQFPBSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022614; PubChem:CID13893238
|
Local ready
Direct docking supported
|