| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L043841
BDB043841
|
BDBM50014120
CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)n1c(O)ccc(NC(O)OC(C)(C)C)c(=O)[nH]c(Cc2ccccc2)c1O
|
C41H57N7O7 759.949000 |
ALSYJJFZCQUPBF-RKDYDCNISA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50014120; PubChem:CID91928876
|
Local ready
Direct docking supported
|
|
E3L043842
BDB043842
|
BDBM50014121
CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)N1C(=O)CC[C@@H](N)C(=O)N[C@H](Cc2ccccc2)C1=O
|
C36H49N7O5 659.832000 |
GZTQTNKCARBIQC-KWBMWPQYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50014121; PubChem:CID44319812
|
Local ready
Direct docking supported
|
|
E3L043843
BDB043843
|
BDBM50014122
CC(C)(C)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)n1c(O)ccc(NC(O)OCc2ccccc2)c(=O)[nH]c(Cc2ccccc2)c1O
|
C44H55N7O7 793.966000 |
OUWGWCCFBIKUFS-GFUNQTSSSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50014122; PubChem:CID91928877
|
Local ready
Direct docking supported
|
|
E3L043844
BDB043844
|
BDBM50014123
CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)N1C(=O)CC[C@@H](NCc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C1=O
|
C45H56N8O5 788.994000 |
HEXMOKQFTWXZEC-GBFSBFEXSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50014123
|
Local ready
Direct docking supported
|
|
E3L043845
BDB043845
|
BDBM50014124
CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)n1c(O)ccc(NC(O)OCc2ccccc2)c(=O)[nH]c(Cc2ccccc2)c1O
|
C44H55N7O7 793.966000 |
UIQQPFPJLZLGKN-WBKKHJTBSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50014124; PubChem:CID91928878
|
Local ready
Direct docking supported
|
|
E3L043846
BDB043846
|
BDBM50014125
COC(=O)C(CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)n1c(O)ccc(NC(O)OCc2ccccc2)c(=O)[nH]c(Cc2ccccc2)c1O
|
C51H66N8O10S 983.202000 |
TYEPPIPPZIFIGR-UNERVLEPSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50014125
|
Local ready
Direct docking supported
|
|
E3L043847
BDB043847
|
BDBM50014126
COC(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)n1c(O)ccc(NC(O)OCc2ccccc2)c(=O)[nH]c(Cc2ccccc2)c1O
|
C49H62N8O10 923.081000 |
CWEVSVWHBJCKKY-QWLMHRPPSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50014126
|
Local ready
Direct docking supported
|
|
E3L043848
BDB043848
|
BDBM50014127
COC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)n1c(O)ccc(NC(O)OCc2ccccc2)c(=O)[nH]c(Cc2ccccc2)c1O
|
C46H57N7O9 852.002000 |
BLLOOYTWZGTZCO-CFIUNWDHSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50014127
|
Local ready
Direct docking supported
|
|
E3L043849
BDB043849
|
BDBM50014128
CCC(C)CN[C@@H]1CCC(=O)N([C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCCC(C)C)C(=O)[C@@H](Cc2ccccc2)NC1=O
|
C41H59N7O5 729.967000 |
HIUKVVJXHAWULP-JQEUXMSZSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50014128
|
Local ready
Direct docking supported
|
|
E3L043850
BDB043850
|
BDBM50014129
COC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
|
C41H52N6O7 740.902000 |
KZBKLNYTAXMALT-ZYADHFCISA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50014129; PubChem:CID44319490
|
Local ready
Direct docking supported
|
|
E3L043851
BDB043851
|
BDBM50014130
COC(=O)[C@@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)n1c(O)ccc(NC(O)OCc2ccccc2)c(=O)[nH]c(Cc2ccccc2)c1O
|
C51H66N8O10S 983.202000 |
TYEPPIPPZIFIGR-GHLLJPQQSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50014130
|
Local ready
Direct docking supported
|
|
E3L043852
BDB043852
|
Boc-Phe-Cys(Acm)-Trp-Leu-OMe
COC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C38H52N6O8S 752.935000 |
FCOYXQPFLLIZFE-YDPTYEFTSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50014131; PubChem:CID44319816
|
Local ready
Direct docking supported
|
|
E3L043853
BDB043853
|
BDBM50014133
CC(C)CC(C)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)N1C(=O)CC(C)CC(=O)N[C@@H](Cc2ccccc2)C1=O
|
C39H54N6O5 686.898000 |
XPCFCZGXCWMKNC-ZNORVHFESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50014133; PubChem:CID44320334
|
Local ready
Direct docking supported
|
|
E3L043854
BDB043854
|
BDBM50014134
CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)N1C(=O)CCC(c2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C1=O
|
C42H52N6O5 720.915000 |
SIQNAFXXGYZEEA-GAXZXCJVSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50014134; PubChem:CID44320332
|
Local ready
Direct docking supported
|
|
E3L043855
BDB043855
|
BDBM50014135
CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)N1C(=O)CCC(C)(C)C(=O)N[C@@H](Cc2ccccc2)C1=O
|
C38H52N6O5 672.871000 |
URMGTHDKGGUKBM-CPCREDONSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50014135; PubChem:CID44320039
|
Local ready
Direct docking supported
|
|
E3L043856
BDB043856
|
BDBM50014136
CCC(C)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)N1C(=O)CCCC(=O)N[C@@H](Cc2ccccc2)C1=O
|
C36H48N6O5 644.817000 |
YLERTPVDPYZKJN-ZTPVPOQDSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50014136; PubChem:CID44319879
|
Local ready
Direct docking supported
|
|
E3L043857
BDB043857
|
BDBM50014137
CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)N1C(=O)[C@H](CC(C)C)NCC(=O)N[C@@H](Cc2ccccc2)C1=O
|
C39H55N7O5 701.913000 |
NOBOVSPVCBRGHF-CUPIEXAXSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50014137
|
Local ready
Direct docking supported
|
|
E3L043858
BDB043858
|
BDBM50014138
CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)N1C(=O)CN[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C1=O
|
C42H53N7O5 735.930000 |
HSOSMQBCQQNBJI-BQYLNSIHSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50014138; PubChem:CID44320182
|
Local ready
Direct docking supported
|
|
E3L043859
BDB043859
|
BDBM50014140
CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)N1C(=O)COCC(=O)N[C@@H](Cc2ccccc2)C1=O
|
C35H46N6O6 646.789000 |
CWSQZZUJYZUVGE-DTXPUJKBSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50014140; PubChem:CID44319911
|
Local ready
Direct docking supported
|
|
E3L043860
BDB043860
|
BDBM50014141
CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)N1C(=O)CN[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C1=O
|
C42H53N7O5 735.930000 |
HSOSMQBCQQNBJI-HQPLKVBUSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50014141; PubChem:CID44320299
|
Local ready
Direct docking supported
|