| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L044121
BDB044121
|
BDBM50022357
CC(C)S(=O)(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C30H49N3O7S 595.803000 |
RFIOXRBNOOOVFK-PZYJALBSSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022357; PubChem:CID13892833
|
Local ready
Direct docking supported
|
|
E3L044122
BDB044122
|
BDBM50022358
CSC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C31H47N5O5S 601.814000 |
KKLAPKXHEWFDJD-FWEHEUNISA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022358; PubChem:CID13892820
|
Local ready
Direct docking supported
|
|
E3L044123
BDB044123
|
BDBM50022359
CC(C)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CS(=O)(=O)C(C)C)[C@@H](C)OCc1ccccc1
|
C34H53N5O7S 675.893000 |
WKQCQHXLFWUDFJ-ZZDWIIDQSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022359; PubChem:CID90662832
|
Local ready
Direct docking supported
|
|
E3L044124
BDB044124
|
BDBM50022360
CC(C)S(=O)(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)[C@@H](C)OCc1ccccc1
|
C30H47N5O6S 605.802000 |
ZDNREZGMVZVUEL-XBTMSFKCSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022360; PubChem:CID90662831
|
Local ready
Direct docking supported
|
|
E3L044125
BDB044125
|
BDBM50022361
O=C(COc1ccccc1)NC(Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSC1CCCCC1
|
C30H44N4O4S 556.773000 |
WFNIZDKNVCUMCQ-HSJPWVCISA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022361; PubChem:CID44308283
|
Local ready
Direct docking supported
|
|
E3L044126
BDB044126
|
BDBM50022362
CC(C)S(=O)(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCO)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C31H51N3O8S 625.829000 |
XRKQTAWDNZKAGQ-FWEHEUNISA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022362; PubChem:CID13892851
|
Local ready
Direct docking supported
|
|
E3L044127
BDB044127
|
BDBM50022363
O=C(NC(Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CS(=O)(=O)C1CCCCC1)C(Cc1ccccc1)Cc1ccccc1
|
C38H52N4O5S 676.924000 |
MSXWYJRSWIKQOX-KSXVSBSBSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022363; PubChem:CID44308357
|
Local ready
Direct docking supported
|
|
E3L044128
BDB044128
|
BDBM50022364
CC(C)S(=O)(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1
|
C35H55N5O8S 705.919000 |
KWNSHLULLUMPEV-ZZDWIIDQSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50022364
|
Local ready
Direct docking supported
|
|
E3L044129
BDB044129
|
BDBM50022365
CC(C)S(=O)(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)Cc1ccccc1
|
C35H48N4O5S 636.859000 |
WLAXVYYFPIRCJC-FKEPZKGNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022365; PubChem:CID44308293
|
Local ready
Direct docking supported
|
|
E3L044130
BDB044130
|
BDBM50022366
CC(C)S(=O)(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCNC(=O)OCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C40H60N4O9S 773.006000 |
NYHGEKPHCBOEGU-BBACVFHCSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50022366
|
Local ready
Direct docking supported
|
|
E3L044131
BDB044131
|
BDBM50022367
CC(C)S(=O)(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(Cc1cnc[nH]1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C33H51N5O7S 661.866000 |
HEVRJSCSSRQFER-VKAIGLIFSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50022367
|
Local ready
Direct docking supported
|
|
E3L044132
BDB044132
|
BDBM50022368
CC(C)S(=O)(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](C)O
|
C31H51N3O8S 625.829000 |
XTEOCWMPCKJLAB-FFXRMZKPSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022368; PubChem:CID90662836
|
Local ready
Direct docking supported
|
|
E3L044133
BDB044133
|
BDBM50022369
CC(C)CC(NC(=O)C(Cc1ccccc1)Cc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CS(=O)(=O)C(C)C
|
C35H52N2O5S 612.877000 |
CUVMSZZAXXBEMN-FKEPZKGNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022369; PubChem:CID44308356
|
Local ready
Direct docking supported
|
|
E3L044134
BDB044134
|
BDBM50022370
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)CS(=O)(=O)C1CCCCC1
|
C36H55N5O7S 701.931000 |
KEBQWWDVFOBDBL-YDPTYEFTSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022370; PubChem:CID13892823
|
Local ready
Direct docking supported
|
|
E3L044135
BDB044135
|
BDBM50022371
CCOC(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CS(=O)(=O)C(C)C)[C@@H](C)OCc1ccccc1
|
C33H51N5O8S 677.865000 |
ISHCZZSJERQWIU-UYVIBWFJSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022371; PubChem:CID90662829
|
Local ready
Direct docking supported
|
|
E3L044136
BDB044136
|
BDBM50022372
CC(C)SC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C33H51N5O5S 629.868000 |
TUCQUFFLZSJMIG-DZUOILHNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022372; PubChem:CID13892818
|
Local ready
Direct docking supported
|
|
E3L044137
BDB044137
|
BDBM50022373
CC(C)S(=O)(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1
|
C38H57N3O8S 715.954000 |
BARDCNRBSZCRHT-IUJFHHLOSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022373; PubChem:CID90662830
|
Local ready
Direct docking supported
|
|
E3L044138
BDB044138
|
BDBM50022374
CC(C)S(=O)(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C
|
C34H53N5O8S 691.892000 |
BYZVEFKGXBGMQU-KRCBVYEFSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50022374
|
Local ready
Direct docking supported
|
|
E3L044139
BDB044139
|
BDBM50022375
CC(C)SC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C30H49N3O5S 563.805000 |
PMGSGSRYNICBHS-PZYJALBSSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022375; PubChem:CID13892831
|
Local ready
Direct docking supported
|
|
E3L044140
BDB044140
|
BDBM50022376
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)CS(=O)(=O)C(C)C
|
C33H55N3O7S 637.884000 |
SFUMHJSTAUOKSS-DZUOILHNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022376; PubChem:CID13892842
|
Local ready
Direct docking supported
|