| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L044241
BDB044241
|
Iva--His-Pro-Phe-His-Sta-Leu-Phe-NH2(SCRIP)
CCC(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-IUUVLTMPSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022837; PubChem:CID44332762
|
Local ready
Direct docking supported
|
|
E3L044242
BDB044242
|
For-Pro-Phe-His-Sta(3xi,4xi)-NH2
CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C=O)C(O)CC(N)=O
|
C29H41N7O6 583.690000 |
SCXHBTGREGDHHQ-VDYHLHOTSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022838; PubChem:CID44332790
|
Local ready
Direct docking supported
|
|
E3L044243
BDB044243
|
Ac-Ftr-Pro-Phe-His-Phe-Phe-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](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
|
C52H56N10O8 949.082000 |
ZPHZCFVFBFIFBT-FUJLPNNASA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022839; PubChem:CID44332789
|
Local ready
Direct docking supported
|
|
E3L044244
BDB044244
|
Ac-Ftr-Pro-Phe-His-Leu(psi)[CH2NH]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](CN[C@H](C(N)=O)C(C)C)CC(C)C
|
C45H60N10O7 853.038000 |
NJBHSHZKKNUPLN-RJYYZCMNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022840; PubChem:CID44332796
|
Local ready
Direct docking supported
|
|
E3L044245
BDB044245
|
Ac-His-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](Cc1cnc[nH]1)NC(C)=O)C(N)=O
|
C42H61N11O8 848.019000 |
CDISWMCLLRNTSQ-OBXUODHZSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022841; PubChem:CID44332795
|
Local ready
Direct docking supported
|
|
E3L044246
BDB044246
|
Phe-His-Sta-Leu-Phe-NH2
CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)Cc1ccccc1)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
|
C38H54N8O6 718.900000 |
LDLKDIAFJQWVNM-MYMHSWNMSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022843; PubChem:CID44332791
|
Local ready
Direct docking supported
|
|
E3L044247
BDB044247
|
Ac-Trp-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](Cc1c[nH]c2ccccc12)NC(C)=O)C(N)=O
|
C47H64N10O8 897.091000 |
TVKUVJQHSALMJM-SSBFDGESSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022844; PubChem:CID44332763
|
Local ready
Direct docking supported
|
|
E3L044248
BDB044248
|
Ac-Ftr-Pro-Phe-His-Sta-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)NC(CC(C)C)C(O)CC(=O)N[C@H](C(N)=O)C(C)C
|
C47H62N10O9 911.074000 |
GXUIHUMZWSTGCD-UOMGRKEQSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022845; PubChem:CID44332797
|
Local ready
Direct docking supported
|
|
E3L044249
BDB044249
|
Ac-Ftr-Pro-Phe-His-Sta-Val-Ftr-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)NC(CC(C)C)C(O)CC(=O)N[C@H](C(=O)N[C@@H](Cc1cn(C=O)c2ccccc12)C(N)=O)C(C)C
|
C59H72N12O11 1125.298000 |
ZZAWYZMELVUDJZ-RPRNNFTRSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022846; PubChem:CID44332786
|
Local ready
Direct docking supported
|
|
E3L044250
BDB044250
|
Ac-Ftr-Pro-Phe-His-Sta-Ftr-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)NC(CC(C)C)C(O)CC(N)=O
|
C42H53N9O8 811.941000 |
RXSIQCVCJCHLJO-INTQXLQLSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022847; PubChem:CID44332798
|
Local ready
Direct docking supported
|
|
E3L044251
BDB044251
|
Ac-Trp-Pro-Phe-His-Phe-Phe-Val-Ftr-NH2
CC(=O)N[C@H](Cc1c[nH]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](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cn(C=O)c2ccccc12)C(N)=O)C(C)C
|
C68H75N13O10 1234.429000 |
DFFSWKRAIWAIFM-MPDUMXPOSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022848; PubChem:CID44332784
|
Local ready
Direct docking supported
|
|
E3L044252
BDB044252
|
Ac-His-Pro-Phe-His-Phe-Phe-Val-Ftr-NH2
CC(=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)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cn(C=O)c2ccccc12)C(N)=O)C(C)C
|
C63H72N14O10 1185.357000 |
LRSWVDGPKAYQSW-UZSMMHNOSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022849; PubChem:CID44332787
|
Local ready
Direct docking supported
|
|
E3L044253
BDB044253
|
Pro-Phe-His-Sta-Leu-Phe-NH2
CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
|
C43H61N9O7 816.017000 |
UIIPQHGTWPWAEA-BERNIFFBSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022850; PubChem:CID44332882
|
Local ready
Direct docking supported
|
|
E3L044254
BDB044254
|
BDBM50022851
CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)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(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)O
|
C78H96N16O13 1465.725000 |
XPAHSKSBHMOJNZ-DIAUVYRXSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50022851
|
Local ready
Direct docking supported
|
|
E3L044255
BDB044255
|
BDBM50022852
CC(=O)N[C@@H](Cc1cn(C=O)c2ccccc12)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cn(C=O)c2ccccc12)C(N)=O)C(C)C
|
C66H71N13O11 1222.374000 |
FMQAJDXQPHSPMN-ZXQBWHKPSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50022852
|
Local ready
Direct docking supported
|
|
E3L044256
BDB044256
|
For-Pro-Phe-His-Sta(3xi,4xi)-xiIle-NH2
CCC(C)[C@H](NC(=O)CC(O)C(CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C=O)C(N)=O
|
C35H52N8O7 696.850000 |
BUNGEELOKQEYSB-RPGPIXAGSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022853; PubChem:CID44332799
|
Local ready
Direct docking supported
|
|
E3L044257
BDB044257
|
BDBM50022854
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](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cn(C=O)c2ccccc12)C(N)=O)C(C)C
|
C69H75N13O11 1262.439000 |
ZOIKWQQWTLRTQH-UVOOGYKISA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50022854
|
Local ready
Direct docking supported
|
|
E3L044258
BDB044258
|
BDBM50022855
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](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cn(C=O)c2ccccc12)C(N)=O)C(C)C
|
C69H75N13O11 1262.439000 |
ZOIKWQQWTLRTQH-MTVYKSGESA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50022855
|
Local ready
Direct docking supported
|
|
E3L044259
BDB044259
|
Ac-Ftr-Pro-Phe-His-Phe-Phe-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](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(N)=O)C(C)C
|
C57H65N11O9 1048.215000 |
RBGWJHVZGMCNNR-BODWXVGXSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022856; PubChem:CID44332769
|
Local ready
Direct docking supported
|
|
E3L044260
BDB044260
|
Ac-His-Phe-Ftr-Phe-Phe-Val-Ftr-NH2
CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cn(C=O)c2ccccc12)C(N)=O)C(C)C
|
C64H68N12O10 1165.322000 |
AQNFDIQIDNFDNL-YIENHUOWSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50022857; PubChem:CID73346989
|
Local ready
Direct docking supported
|