| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L043581
BDB043581
|
BDBM50009872
CCC(C)CNC(=O)C[C@H](O)C(CC(C)C)NC(=O)C(CCCCNC(C)=O)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
|
C45H60N4O5 736.998000 |
YLPLWODRIWJPGJ-VDDYOABDSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50009872; PubChem:CID44458620
|
Local ready
Direct docking supported
|
|
E3L043582
BDB043582
|
BDBM50009873
CC(=O)NCC#CCC(NC(=O)C(Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)NC(CC1CCCCC1)[C@@H](O)CC(=O)N1CCOC(CCN)C1
|
C38H59N7O9S 789.997000 |
KPEAUNCJIVUEQJ-LMBHXRIZSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50009873
|
Local ready
Direct docking supported
|
|
E3L043583
BDB043583
|
BDBM50009874
CCC(C)CNC(=O)C[C@H](O)C(CC(C)C)NC(=O)C(CCCCN)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
|
C43H58N4O4 694.961000 |
FOSSHOAJMBIOEK-QYGLOMESSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50009874; PubChem:CID44458516
|
Local ready
Direct docking supported
|
|
E3L043584
BDB043584
|
BDBM50009875
CNC(=S)NCCCCC(NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12)C(=O)NC(CC(C)C)[C@@H](O)CC(=O)NC(CC(C)C)C(=O)NCc1ccccc1
|
C53H68N6O5S 901.231000 |
OJALSVLVAASDKI-HJDAKRCQSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50009875
|
Local ready
Direct docking supported
|
|
E3L043585
BDB043585
|
BDBM50009876
CCC(C)CNC(=O)C[C@H](O)C(CC(C)C)NC(=O)C(CCCCn1cccc1)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
|
C47H60N4O4 745.021000 |
AMFUCDYNIZIDTP-HQBNBSFASA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50009876; PubChem:CID44458713
|
Local ready
Direct docking supported
|
|
E3L043586
BDB043586
|
BDBM50009877
CNC(=S)NCCCCC(NC(=O)C(Cc1ccccc1)NS(=O)(=O)N(C)C)C(=O)NC(CC1CCCCC1)[C@@H](O)CC(=O)N1CCOC(CCN)C1
|
C36H62N8O7S2 783.075000 |
DRBIXQOMWOMZPW-SWLYDDGOSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50009877
|
Local ready
Direct docking supported
|
|
E3L043587
BDB043587
|
BDBM50009878
CCC(C)CNC(=O)C[C@H](O)C(CC(C)C)NC(=O)C(CCCCNC(=NC#N)SC)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
|
C46H60N6O4S 793.091000 |
FJJDFYSCHAQAJU-SAKJEASGSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50009878
|
Local ready
Direct docking supported
|
|
E3L043588
BDB043588
|
BDBM50009879
CCC(C)CNC(=O)C[C@H](O)C(CC(C)C)NC(=O)C(CC#CCNC(C)=O)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
|
C45H56N4O5 732.966000 |
FYFNTNIHCKLXIV-VDDYOABDSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50009879; PubChem:CID44458536
|
Local ready
Direct docking supported
|
|
E3L043589
BDB043589
|
BDBM50009880
CCC(C)CNC(=O)C[C@H](O)C(CC(C)C)NC(=O)C(CCNC(=S)NC)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
|
C43H57N5O4S 740.027000 |
UYQFQKUIPPGETB-XEZPCESLSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50009880
|
Local ready
Direct docking supported
|
|
E3L043590
BDB043590
|
BDBM50009881
CCC(C)CNC(=O)C[C@H](O)C(CC(C)C)NC(=O)C(CCCCCNC(=S)NC)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
|
C46H63N5O4S 782.108000 |
XMPIKRAPEVQBFH-SAKJEASGSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50009881
|
Local ready
Direct docking supported
|
|
E3L043591
BDB043591
|
BDBM50009882
CCC(C)CNC(=O)C[C@H](O)C(CC(C)C)NC(=O)C(CC#CCNC(=O)OCc1ccccc1)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
|
C51H60N4O6 825.063000 |
DEKASTZDMCFHIL-NDTXXLJKSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50009882
|
Local ready
Direct docking supported
|
|
E3L043592
BDB043592
|
BDBM50009883
CNC(=S)NCCCCC(NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12)C(=O)NC(CC1CCCCC1)[C@@H](O)CC(=O)N1CCOC(CCN)C1
|
C49H66N6O5S 851.171000 |
FYFHLIBWNYHITO-BNRLSTEOSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50009883
|
Local ready
Direct docking supported
|
|
E3L043593
BDB043593
|
BDBM50009884
NCCC1CN(C(=O)C[C@H](O)C(CC2CCCCC2)NC(=O)C(Cc2cnc[nH]2)NC(=O)C(Cc2ccccc2)NS(=O)(=O)N2CCOCC2)CCO1
|
C36H56N8O8S 760.959000 |
CQKVNPXXMLGRSE-HUFZRYMBSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50009884
|
Local ready
Direct docking supported
|
|
E3L043594
BDB043594
|
BDBM50009885
CNC(=S)NCC#CCC(NC(=O)C(Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)NC(CC1CCCCC1)[C@@H](O)CC(=O)N1CCOC(CCN)C1
|
C38H60N8O8S2 821.080000 |
PMGOEWJGCKXYHF-XMCIUJAFSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50009885
|
Local ready
Direct docking supported
|
|
E3L043595
BDB043595
|
BDBM50009886
CNC(=S)NCCCCC(NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12)C(=O)NC(CC(C)C)[C@@H](O)CC(=O)N(C)OC
|
C42H55N5O5S 741.999000 |
LCCDMIBJLDPSSR-KLQRRAJASA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50009886; PubChem:CID44458759
|
Local ready
Direct docking supported
|
|
E3L043596
BDB043596
|
BDBM50009887
CCC(C)CNC(=O)C[C@H](O)C(CC(C)C)NC(=O)C(CCCCCNC(=N)N[N+](=O)[O-])NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
|
C45H61N7O6 796.026000 |
KOYYNTVXZJGAPD-PASJKQFYSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50009887
|
Local ready
Direct docking supported
|
|
E3L043597
BDB043597
|
BDBM50009888
CCC(C)CNC(=O)C[C@H](O)C(CC(C)C)NC(=O)C(CCCCNP(=O)(Oc1ccccc1)Oc1ccccc1)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
|
C55H67N4O7P 927.136000 |
JYTPTLAXGLKOFL-YPWRFBJASA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50009888
|
Local ready
Direct docking supported
|
|
E3L043598
BDB043598
|
BDBM50009889
CNC(=S)NCCCCC(NC(=O)C(Cc1ccccc1)S(=O)(=O)C(C)(C)C)C(=O)NC(CC1CCCCC1)[C@@H](O)CC(=O)N1CCOC(CCN)C1
|
C38H64N6O7S2 781.099000 |
VRKBCQXORZBQJN-MSNSLWKHSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50009889
|
Local ready
Direct docking supported
|
|
E3L043599
BDB043599
|
BDBM50009890
CC(C)CC(NC(=O)C[C@H](O)C(CC(C)C)NC(=O)C(CCCCNC(=N)N[N+](=O)[O-])NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12)C(=O)NCc1ccccc1
|
C52H66N8O7 915.149000 |
KYSFAXUWAVUDOY-YONJSIODSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50009890
|
Local ready
Direct docking supported
|
|
E3L043600
BDB043600
|
BDBM50009891
CC(C)CC(NC(=O)C(CCCCNC(=N)N[N+](=O)[O-])NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12)[C@@H](O)CC(=O)N1CCOC(CCN)C1
|
C45H60N8O7 825.024000 |
MVTRJRUVVNFNKL-LXKKMCRMSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50009891
|
Local ready
Direct docking supported
|