| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L043901
BDB043901
|
BDBM50016041
CC(C)C[C@H](NC(=O)CC(O)[C@H](CC(C)C)NC(=O)CCC[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1
|
C38H58N4O6 666.904000 |
NTIKUUZBRPMLQJ-XLEWBJRTSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50016041
|
Local ready
Direct docking supported
|
|
E3L043902
BDB043902
|
BDBM50016042
CC(C)C[C@H](NC(=O)C[C@@H](O)C(CC1CCCCC1)NC(=O)CC1OC1[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1cccc(CN)c1
|
C42H63N5O7 749.994000 |
BGLONCDHOHFGQS-ZZXXGQFBSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50016042
|
Local ready
Direct docking supported
|
|
E3L043903
BDB043903
|
BDBM50016043
CC(C)C[C@H](NC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@@H](CC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)Cc1ccccc1)C(=O)NCc1ccccc1
|
C48H60N4O7 805.029000 |
ZXXKPIAHQXQGAL-CMPYQDEGSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50016043; PubChem:CID44380689
|
Local ready
Direct docking supported
|
|
E3L043904
BDB043904
|
BDBM50016044
CC(C)C[C@H](NC(=O)CC(O)[C@H](CC(C)C)NC(=O)CCC(O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)NCc1ccccc1
|
C38H58N4O7 682.903000 |
PIQSUFGENXCHSJ-UBKSBJNYSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50016044
|
Local ready
Direct docking supported
|
|
E3L043905
BDB043905
|
BDBM50016045
CC(C)C[C@H](NC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)CC(O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1
|
C42H62N6O7 762.993000 |
VPYDDCALEWKPSO-FONQFCSQSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50016045
|
Local ready
Direct docking supported
|
|
E3L043906
BDB043906
|
BDBM50016046
CC(C)C[C@H](NC(=O)C[C@@H](O)C(CC1CCCCC1)NC(=O)/C=C/C(O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1
|
C41H60N4O7 720.952000 |
FZSBUWFQCVZMET-INGRARMMSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50016046
|
Local ready
Direct docking supported
|
|
E3L043907
BDB043907
|
BDBM50016047
CC(C)C[C@H](NC(=O)CC(O)[C@H](CC(C)C)NC(=O)CCC(O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1
|
C38H58N4O7 682.903000 |
CJBLARKUPVJXQH-LWJPDFBISA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50016047; PubChem:CID44380916
|
Local ready
Direct docking supported
|
|
E3L043908
BDB043908
|
BDBM50016048
CC(C)C[C@H](NC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)CC(O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NCc1ccccc1
|
C48H62N4O7 807.045000 |
JCBMSLUTOAJYRZ-XPBMILCBSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50016048; PubChem:CID44380814
|
Local ready
Direct docking supported
|
|
E3L043909
BDB043909
|
BDBM50016049
CC(C)CC(=O)N[C@H](/C=C/CC(=O)N[C@@H](CC(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1ccccc1)Cc1ccccc1
|
C38H56N4O5 648.889000 |
QCJRQMMZRKTPQU-ZAGDJDBJSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50016049; PubChem:CID44380986
|
Local ready
Direct docking supported
|
|
E3L043910
BDB043910
|
BDBM50016050
CC(C)C[C@H](NC(=O)CC(O)[C@H](CC(C)C)NC(=O)CC1OC1[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1
|
C38H56N4O7 680.887000 |
ISCXAZPFTZSBGC-HXHNTATGSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50016050
|
Local ready
Direct docking supported
|
|
E3L043911
BDB043911
|
BDBM50016051
CC(C)CC(=O)N[C@H](CSCC(=O)N[C@@H](CC(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1ccccc1)Cc1ccccc1
|
C37H56N4O5S 668.945000 |
VEEQHWGKBJRMCG-KSTJSZMBSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50016051; PubChem:CID44380671
|
Local ready
Direct docking supported
|
|
E3L043912
BDB043912
|
BDBM50016052
CC(C)C[C@H](NC(=O)CC(O)[C@H](CC(C)C)NC(=O)C/C=C/[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1
|
C38H56N4O6 664.888000 |
UYUVJSRSLLBWOG-BFBKQGLDSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50016052; PubChem:CID44380936
|
Local ready
Direct docking supported
|
|
E3L043913
BDB043913
|
BDBM50016053
CC(C)C[C@H](NC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)[S+]([O-])C[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1
|
C44H62N4O7S 791.068000 |
VJRWDANKAOYHTI-BSCFMPMISA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50016053
|
Local ready
Direct docking supported
|
|
E3L043914
BDB043914
|
BDBM50016054
CC(C)C[C@H](NC(=O)CC(O)[C@H](CC(C)C)NC(=O)CC(O)C(O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1
|
C38H64N4O8 704.950000 |
GATXHWHNPXRRNN-HXHNTATGSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50016054
|
Local ready
Direct docking supported
|
|
E3L043915
BDB043915
|
BDBM50016055
CC(C)C[C@H](NC(=O)C[C@@H](O)C(CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1
|
C44H65N7O6 788.047000 |
KOSQTZIFSAKVHD-GOIVZRJUSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50016055
|
Local ready
Direct docking supported
|
|
E3L043916
BDB043916
|
BDBM50016056
CC(C)C[C@H](NC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1
|
C41H61N7O6 747.982000 |
PTWCZMVDKUIOKK-KXMLRWMJSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50016056
|
Local ready
Direct docking supported
|
|
E3L043917
BDB043917
|
BDBM50016057
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1ccccc1
|
C45H62N4O7 771.012000 |
CXUQLEFNWUGHRJ-FMNHCBLJSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50016057
|
Local ready
Direct docking supported
|
|
E3L043918
BDB043918
|
BDBM50016058
CC(C)C[C@H](NC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1
|
C44H63N5O6 758.017000 |
PZKBDUOAZRACBL-IQDIPSPMSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50016058
|
Local ready
Direct docking supported
|
|
E3L043919
BDB043919
|
BDBM50016059
CC(C)C[C@H](CC(O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1ccccc1
|
C42H72N4O7 745.059000 |
RPXFRUUIWVNBON-VOBZKXRJSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50016059
|
Local ready
Direct docking supported
|
|
E3L043920
BDB043920
|
BDBM50016060
CC(C)C[C@H](NC(=O)C[C@@H](O)C(Cc1ccccc1)NC(=O)C/C=C/[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1
|
C41H54N4O6 698.905000 |
POQFWZXFPFMXMD-RUKGNQIQSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50016060
|
Local ready
Direct docking supported
|