| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L044421
BDB044421
|
BDBM50023072
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](O)CCSCCc1ccccc1
|
C33H49N3O5S 599.838000 |
LNIDEKFLCFWKTP-JSRHHAARSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50023072; PubChem:CID13891089
|
Local ready
Direct docking supported
|
|
E3L044422
BDB044422
|
BDBM50023073
CC(C)CCS(=O)(=O)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
|
C30H51N3O7S 597.819000 |
ACOALOCGULMURP-GKXKVECMSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50023073; PubChem:CID13891097
|
Local ready
Direct docking supported
|
|
E3L044423
BDB044423
|
BDBM50023074
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](O)CCSC(C)C
|
C28H47N3O5S 537.767000 |
ADXIEHMLHMLUHI-BIHRQFPBSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50023074; PubChem:CID13891093
|
Local ready
Direct docking supported
|
|
E3L044424
BDB044424
|
BDBM50023075
CC(C)CSCC[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C29H49N3O5S 551.794000 |
NOGRMQWZXHMVPE-LFBFJMOVSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50023075; PubChem:CID13891091
|
Local ready
Direct docking supported
|
|
E3L044425
BDB044425
|
BDBM50023076
CC(C)CCSCC[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C30H51N3O5S 565.821000 |
NYCIVVGBGAKBMK-GKXKVECMSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50023076; PubChem:CID13891087
|
Local ready
Direct docking supported
|
|
E3L044426
BDB044426
|
BDBM50023077
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](O)CCS(=O)(=O)C(C)C
|
C28H47N3O7S 569.765000 |
SDSLMEAFLBLGEX-BIHRQFPBSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50023077; PubChem:CID13891103
|
Local ready
Direct docking supported
|
|
E3L044427
BDB044427
|
BDBM50023078
CC[C@H](C)[C@H](NC(=O)C[C@H](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(=O)NCc1ccccn1
|
C40H58N8O7 762.953000 |
IKTWAJYRQBBRIB-QTCSXKEMSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50023078
|
Local ready
Direct docking supported
|
|
E3L044428
BDB044428
|
BDBM50023079
CC[C@H](C)[C@H](NC(=O)C(F)(F)[C@H](N)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1
|
C40H57F2N9O6 797.949000 |
YRQGYDUIDCNXHW-LVUDJFDHSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50023079
|
Local ready
Direct docking supported
|
|
E3L044429
BDB044429
|
BDBM50023080
CC[C@H](C)[C@H](NC(=O)C(F)(F)[C@H](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(=O)NCc1ccccn1
|
C40H56F2N8O7 798.933000 |
CPUSLIQWJPPCAC-LVUDJFDHSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50023080
|
Local ready
Direct docking supported
|
|
E3L044430
BDB044430
|
BDBM50023081
CC[C@H](C)[C@H](NC(=O)C(F)(F)[C@@H](N)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1
|
C40H57F2N9O6 797.949000 |
YRQGYDUIDCNXHW-YXKTVTGNSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50023081
|
Local ready
Direct docking supported
|
|
E3L044431
BDB044431
|
BDBM50023082
CC[C@H](C)[C@H](NC(=O)C[C@@H](N)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1
|
C40H59N9O6 761.969000 |
XXMFNJNYWDVWMY-XZOVBKFISA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50023082
|
Local ready
Direct docking supported
|
|
E3L044432
BDB044432
|
BDBM50023083
CC[C@H](C)[C@H](NC(=O)C(F)(F)[C@@H](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(=O)NCc1ccccn1
|
C40H56F2N8O7 798.933000 |
CPUSLIQWJPPCAC-YXKTVTGNSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50023083
|
Local ready
Direct docking supported
|
|
E3L044433
BDB044433
|
BDBM50023084
CC[C@H](C)[C@H](NC(=O)C[C@H](N)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1
|
C40H59N9O6 761.969000 |
XXMFNJNYWDVWMY-QTCSXKEMSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50023084
|
Local ready
Direct docking supported
|
|
E3L044434
BDB044434
|
BDBM50023085
CC[C@H](C)[C@H](NC(=O)C[C@@H](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(=O)NCc1ccccn1
|
C40H58N8O7 762.953000 |
IKTWAJYRQBBRIB-MAXLLQCASA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50023085
|
Local ready
Direct docking supported
|
|
E3L044435
BDB044435
|
Boc-Phe-His-Sta-Leu-1-hydroxy-1-phenyl-2-propylamide
CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NC(C)C(O)c1ccccc1
|
C43H63N7O8 806.018000 |
KSHOHCPWQBYETG-RCSGAXFDSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50023086; PubChem:CID44298033
|
Local ready
Direct docking supported
|
|
E3L044436
BDB044436
|
Boc-Phe-His-Sta-Leu-phenylthylamide
CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
|
C43H62N8O8 819.017000 |
NFNRQMKMRMLZTP-KIKGKDENSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50023087; PubChem:CID44297942
|
Local ready
Direct docking supported
|
|
E3L044437
BDB044437
|
Boc-Phe-His-Sta-Leu-p-methoxybenzylamide
COc1ccc(CNC(=O)[C@H](CC(C)C)NC(=O)CC(O)C(CC(C)C)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1
|
C42H61N7O8 791.991000 |
UYSSZELVCHSCIX-QQUXTKCMSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50023088; PubChem:CID44297827
|
Local ready
Direct docking supported
|
|
E3L044438
BDB044438
|
Boc-Phe-His-Sta-Leu-p-chlorobenzylamide
CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1ccc(Cl)cc1
|
C41H58ClN7O7 796.410000 |
PNZRYJNQFXMDNY-DMCQDZEQSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50023089; PubChem:CID44297957
|
Local ready
Direct docking supported
|
|
E3L044439
BDB044439
|
Boc-Phe-His-Sta-Leu-4-amido-1-benzylpiperidine
CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NC1CCN(Cc2ccccc2)CC1
|
C46H68N8O7 845.099000 |
HSZKRMBOKKRAQJ-RHVSCQTASA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50023090; PubChem:CID44297968
|
Local ready
Direct docking supported
|
|
E3L044440
BDB044440
|
Iva-his-pro-phe-his-sta-leu-phe-NH2
CC[C@](C)(N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(CC(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
|
C54H77N13O9 1052.292000 |
YLFGKFNAVPVWDW-AJEFLBOZSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50023091; PubChem:CID44297826
|
Local ready
Direct docking supported
|