| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L043401
BDB043401
|
BDBM50006210
CCCCC(=O)N[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCC)O[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(C)C
|
C41H69N3O7 716.017000 |
BWDFXGYRZWYNAI-LQWITFIISA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006210
|
Local ready
Direct docking supported
|
|
E3L043402
BDB043402
|
BDBM50006211
CC(C)[C@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)NC(=O)OCCc1ccccn1
|
C42H61N7O7 775.992000 |
AMCWDMFJILEPQK-LTLCPEALSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006211
|
Local ready
Direct docking supported
|
|
E3L043403
BDB043403
|
BDBM50006212
CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](NC(=O)OCCC(C)C)C(C)C
|
C42H71N3O8 746.043000 |
HEZFKMKNKLSXTR-MQDBWYGVSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50006212; PubChem:CID14991495
|
Local ready
Direct docking supported
|
|
E3L043404
BDB043404
|
BDBM50006213
CC(C)[C@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)NC(=O)OCCN(C)C
|
C39H63N7O7 741.975000 |
JQPAAZWPAWJQPM-LJADHVKFSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006213
|
Local ready
Direct docking supported
|
|
E3L043405
BDB043405
|
BDBM50006214
CCCNC(=O)N[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C
|
C38H61N7O6 711.949000 |
KQTSBEYXBFKZJR-ZTTXAYQISA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006214
|
Local ready
Direct docking supported
|
|
E3L043406
BDB043406
|
BDBM50006418
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSc1nnnn1CCc1ccc(O)cc1
|
C39H53N9O6S 775.977000 |
KMJDIMYPPFFUQN-CUPIEXAXSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006418
|
Local ready
Direct docking supported
|
|
E3L043407
BDB043407
|
BDBM50006419
CCOC(=O)Cn1nnnc1SC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C35H51N9O7S 741.916000 |
VYPMLUUVIPUWEX-DZUOILHNSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006419
|
Local ready
Direct docking supported
|
|
E3L043408
BDB043408
|
BDBM50006420
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSc1ncc2ccccn12
|
C37H49N7O5S 703.910000 |
GVHJABRMLWSFPD-YDPTYEFTSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006420
|
Local ready
Direct docking supported
|
|
E3L043409
BDB043409
|
BDBM50006421
Cn1nnnc1SC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C32H47N9O5S 669.853000 |
ZEBZSKDNYBGBLN-FWEHEUNISA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006421
|
Local ready
Direct docking supported
|
|
E3L043410
BDB043410
|
BDBM50006422
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSC1CCCCC1
|
C36H55N5O5S 669.933000 |
ZFLXSLWPWICHNH-YDPTYEFTSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50006422; PubChem:CID13892814
|
Local ready
Direct docking supported
|
|
E3L043411
BDB043411
|
BDBM50006423
CN(C)CCNC(=O)Cn1nnnc1SC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C37H57N11O6S 784.001000 |
NOZQEEVAGHWFNT-ORYMTKCHSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006423
|
Local ready
Direct docking supported
|
|
E3L043412
BDB043412
|
BDBM50006424
Cn1nc(C(F)(F)F)nc1SC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C34H47F3N8O5S 736.862000 |
CSYYDFVLZJVDCW-FWEHEUNISA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006424
|
Local ready
Direct docking supported
|
|
E3L043413
BDB043413
|
BDBM50006425
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSc1ccccn1
|
C35H48N6O5S 664.873000 |
BVZQIUZSCHYLLR-KRCBVYEFSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006425
|
Local ready
Direct docking supported
|
|
E3L043414
BDB043414
|
BDBM50006426
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSc1nnc(Nc2ccccc2)s1
|
C38H50N8O5S2 763.003000 |
LQSQUHQXOXSJLS-YDPTYEFTSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006426
|
Local ready
Direct docking supported
|
|
E3L043415
BDB043415
|
BDBM50006427
Cc1ccnc(SC[C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)n1
|
C35H49N7O5S 679.888000 |
RYFJITGTXQQYHX-KRCBVYEFSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006427
|
Local ready
Direct docking supported
|
|
E3L043416
BDB043416
|
BDBM50006428
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSc1nnnn1CC(=O)NCCN1CCOCC1
|
C39H59N11O7S 826.038000 |
YFWKTARZGADHHD-YRCZKMHPSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006428
|
Local ready
Direct docking supported
|
|
E3L043417
BDB043417
|
BDBM50006429
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSc1nnc(C(F)(F)F)n1CCc1ccncc1
|
C40H52F3N9O5S 827.975000 |
JMNQPINYSFYFQQ-YRCZKMHPSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006429
|
Local ready
Direct docking supported
|
|
E3L043418
BDB043418
|
BDBM50006430
CN(C)CCn1nnnc1SC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C35H54N10O5S 726.949000 |
ILSJUWBVGJBUPQ-KRCBVYEFSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006430
|
Local ready
Direct docking supported
|
|
E3L043419
BDB043419
|
BDBM50006431
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSc1nnnn1CCN1CCOCC1
|
C37H56N10O6S 768.986000 |
GCIHBGLEBMQQFJ-YDPTYEFTSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006431
|
Local ready
Direct docking supported
|
|
E3L043420
BDB043420
|
BDBM50006432
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSc1nnnn1CC(N)=O
|
C33H48N10O6S 712.878000 |
UJRBUHVGJLLENJ-FWEHEUNISA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50006432
|
Local ready
Direct docking supported
|