| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L044261
BDB044261
|
His-Sta-Leu-Phe-NH2
CC(C)CC(NC(=O)[C@@H](N)Cc1cnc[nH]1)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
|
C29H45N7O5 571.723000 |
JOVGJHOXVOWVBL-JRQXQNINSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022858; PubChem:CID44332794
|
Local ready
Direct docking supported
|
|
E3L044262
BDB044262
|
H 142
CC[C@H](C)[C@H](NC(=O)[C@@H](NC[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)O
|
C60H91N17O10 1210.497000 |
XIZSMQBWVQNHCA-NIRMQQKASA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022859; PubChem:CID134897
|
Local ready
Direct docking supported
|
|
E3L044263
BDB044263
|
Ac-D-Ftr-Pro-Phe-His-Sta-Ile-NH2
CC[C@H](C)[C@H](NC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1cn(C=O)c2ccccc12)NC(C)=O)C(N)=O
|
C48H64N10O9 925.101000 |
MVKIAKQYOLSMAX-IBJOAXOFSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022860; PubChem:CID44332792
|
Local ready
Direct docking supported
|
|
E3L044264
BDB044264
|
Ac-Ftr-Pro-Phe-His-Leu(psi)[CH(OH)CH2]Val-NH2
CC(=O)N[C@@H](Cc1cn(C=O)c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(O)C[C@H](C(N)=O)C(C)C
|
C46H61N9O8 868.049000 |
GGUNSWZCUSEKTM-KWIIOUDCSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022861; PubChem:CID44332883
|
Local ready
Direct docking supported
|
|
E3L044265
BDB044265
|
Boc-Phe-Ala-Leu-Val-Ile-His-OMe
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)OC
|
C41H64N8O9 813.010000 |
HSIRWURLJCQVII-MRHHCFRNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022862; PubChem:CID44331133
|
Local ready
Direct docking supported
|
|
E3L044266
BDB044266
|
BDBM50022863
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H]1COCCCCCCCN(C(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)[C@H](C)C(=O)N1)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)OC
|
C45H70N8O10 883.101000 |
GKKULMDDWMBPTR-CDWRKOINSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50022863
|
Local ready
Direct docking supported
|
|
E3L044267
BDB044267
|
Boc-Phe-(CH3)Ala-Leu-Val-Ile-His-OMe
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)OC
|
C42H66N8O9 827.037000 |
GAENVHATERNULE-ZEEPROBFSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022864; PubChem:CID44331134
|
Local ready
Direct docking supported
|
|
E3L044268
BDB044268
|
Boc-Phe-His-Leu-Val-Ile-His-OMe
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=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(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)OC
|
C44H66N10O9 879.073000 |
DACRXUMALCQYAS-JHNSYDJNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022865; PubChem:CID44331132
|
Local ready
Direct docking supported
|
|
E3L044269
BDB044269
|
H-DL-Iva-Val-Val-Sta(3xi,4xi)-Ala-Sta(3xi,4xi)-OH
CCC(C)(N)C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(CC(C)C)C(O)CC(=O)N[C@@H](C)C(=O)NC(CC(C)C)C(O)CC(=O)O)C(C)C)C(C)C
|
C34H64N6O9 700.919000 |
OQUMTPGNPJBXDI-SKVWWOFPSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022866; PubChem:CID44331168
|
Local ready
Direct docking supported
|
|
E3L044270
BDB044270
|
BDBM50022867
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H]1COCCCCCN(C(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)[C@H](C)C(=O)N1)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)OC
|
C43H66N8O10 855.047000 |
UWJDXBLBDXDXEK-OUXIQBBVSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50022867
|
Local ready
Direct docking supported
|
|
E3L044271
BDB044271
|
BDBM50022868
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H]1COCCCN(C(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)[C@H](C)C(=O)N1)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)OC
|
C41H62N8O10 826.993000 |
GTUGRJBQGCGAQL-OOAKFPIBSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50022868
|
Local ready
Direct docking supported
|
|
E3L044272
BDB044272
|
BDBM50022869
CC(C)SC[C@H](O)[C@H](CCC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C34H53N5O5S 643.895000 |
SOTZDMBUIDTGCD-KRCBVYEFSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50022869
|
Local ready
Direct docking supported
|
|
E3L044273
BDB044273
|
BDBM50022870
CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](O)CSC(C)C
|
C30H47N5O5S 589.803000 |
HOMIXIGBHXBJNJ-CQJMVLFOSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50022870
|
Local ready
Direct docking supported
|
|
E3L044274
BDB044274
|
BDBM50022872
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](O)CSC(C)C
|
C27H45N3O5S 523.740000 |
OBJPHXFLSNJRSU-UDIDDNNKSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022872; PubChem:CID13893200
|
Local ready
Direct docking supported
|
|
E3L044275
BDB044275
|
Boc-Phe-Ala-Chg-al
C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@H](C=O)C1CCCCC1
|
C25H37N3O5 459.587000 |
LWAZLLIFEKBBBS-DZFGPLHGSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022874; PubChem:CID15601556
|
Local ready
Direct docking supported
|
|
E3L044276
BDB044276
|
Boc-Phe-Ala-Abu(cHex)-al
C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@H](C=O)CCC1CCCCC1
|
C27H41N3O5 487.641000 |
XBNANUWIOWBWKV-VJBMBRPKSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022875; PubChem:CID15601558
|
Local ready
Direct docking supported
|
|
E3L044277
BDB044277
|
BDBM50022876
C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@H](C=O)CC12CC3CC(CC(C3)C1)C2
|
C30H43N3O5 525.690000 |
QSQCLUYFNQFQAV-ACRXAMNQSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022876; PubChem:CID44366804
|
Local ready
Direct docking supported
|
|
E3L044278
BDB044278
|
BDBM50022877
CC(C)SC[C@H](O)[C@H](CC12CC3CC(CC(C3)C1)C2)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C37H55N5O5S 681.944000 |
GBMATAYCACXBHU-BAPFKJLMSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50022877
|
Local ready
Direct docking supported
|
|
E3L044279
BDB044279
|
BDBM50022878
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
|
C30H43N3O5S 557.757000 |
MDMFKJWVPPVHPT-PZYJALBSSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022878; PubChem:CID15601586
|
Local ready
Direct docking supported
|
|
E3L044280
BDB044280
|
BDBM50022879
CC(C)SC[C@H](O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C1CCCCC1
|
C32H49N5O5S 615.841000 |
VOFAPLZQUCFEQV-LJWNLINESA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50022879
|
Local ready
Direct docking supported
|