| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L043881
BDB043881
|
BDBM50016021
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
|
C44H59N7O6 781.999000 |
QBXOLNLSJMKIGR-GOIVZRJUSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50016021
|
Local ready
Direct docking supported
|
|
E3L043882
BDB043882
|
BDBM50016022
CC(C)CC(=O)N[C@@H](Cc1ccccc1)CS(=O)(=O)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(O)CC(=O)NCc1ccccc1
|
C49H71N5O9S 906.200000 |
AFGZDANZTBGMOA-BGUSBQHASA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50016022
|
Local ready
Direct docking supported
|
|
E3L043883
BDB043883
|
BDBM50016023
CC(C)CC(=O)N[C@H](CN[C@H](C(=O)N[C@@H](CC(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1ccccc1)C(C)C)C(C)C
|
C36H63N5O5 645.930000 |
OWWDHEMTQSPUNV-VIJJKONZSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50016023
|
Local ready
Direct docking supported
|
|
E3L043884
BDB043884
|
BDBM50016024
CC(C)CC(=O)N[C@@H](Cc1ccccc1)C[S+]([O-])[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(O)CC(=O)NCc1ccccc1
|
C49H71N5O8S 890.201000 |
BQYMPVMWMLOQIE-CFENWSBOSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50016024
|
Local ready
Direct docking supported
|
|
E3L043885
BDB043885
|
BDBM50016025
CC(C)C[C@H](NC(=O)C[C@@H](O)C(CC1CCCCC1)NC(=O)CCC(O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1
|
C41H62N4O7 722.968000 |
PHRXLALWPXIWSH-ZZACBYDUSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50016025
|
Local ready
Direct docking supported
|
|
E3L043886
BDB043886
|
BDBM50016026
CC(C)C[C@H](NC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1
|
C44H61N5O7 772.000000 |
QXGXNYQUGYTYEY-HAFAKCMCSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50016026
|
Local ready
Direct docking supported
|
|
E3L043887
BDB043887
|
BDBM50016027
CC(C)CC(=O)N[C@@H](Cc1ccccc1)C1OC1CC(=O)N[C@@H](CC(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1ccccc1
|
C38H56N4O6 664.888000 |
MYHICFCFBKQWTJ-SRYMTTIWSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50016027
|
Local ready
Direct docking supported
|
|
E3L043888
BDB043888
|
BDBM50016028
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
|
C42H70N4O7 743.043000 |
JBYHEBIWYFESCW-OJMAIRNPSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50016028
|
Local ready
Direct docking supported
|
|
E3L043889
BDB043889
|
BDBM50016029
CC(C)CC(=O)N[C@H](CS[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(O)CC(=O)NCc1ccccc1)Cc1ccccc1
|
C49H71N5O7S 874.202000 |
UBLLJZOWKBQHSU-BGUSBQHASA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50016029
|
Local ready
Direct docking supported
|
|
E3L043890
BDB043890
|
BDBM50016030
CC(C)C[C@H](NC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)CC(O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)NCc1ccccc1
|
C45H64N4O7 773.028000 |
HCCVTCQDLKKKOQ-RJJXMMBCSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50016030
|
Local ready
Direct docking supported
|
|
E3L043891
BDB043891
|
BDBM50016031
CC(C)C[C@H](NC(=O)CC(O)[C@H](CC(C)C)NC(=O)C(O)C(O)C(O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1
|
C38H58N4O9 714.901000 |
LBKHWHLVODTNHJ-HGICYXIOSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50016031
|
Local ready
Direct docking supported
|
|
E3L043892
BDB043892
|
BDBM50016032
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)NCc1ccccc1
|
C41H60N4O7 720.952000 |
FGLRBWJRHKMZBP-PVRPMRCRSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50016032
|
Local ready
Direct docking supported
|
|
E3L043893
BDB043893
|
BDBM50016033
CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1
|
C41H59N7O7 761.965000 |
AJSUGOHRKILWCK-ZZTWKDBPSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50016033
|
Local ready
Direct docking supported
|
|
E3L043894
BDB043894
|
BDBM50016034
CC(C)C[C@H](NC(=O)C[C@@H](O)C(CC1CCCCC1)NC(=O)CCC(O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccc(CN)cc1
|
C42H65N5O7 752.010000 |
ULAJEDUFIBVCKQ-BKWCAIBPSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50016034
|
Local ready
Direct docking supported
|
|
E3L043895
BDB043895
|
BDBM50016035
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
|
C38H56N4O7 680.887000 |
UYKUVULSCYIZLX-DMCFQTOFSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50016035; PubChem:CID44380690
|
Local ready
Direct docking supported
|
|
E3L043896
BDB043896
|
BDBM50016036
CC(C)C[C@H](NC(=O)CC(O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1
|
C37H55N5O7 681.875000 |
VCLVKQPTBIOXIJ-PFDUYEAOSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50016036
|
Local ready
Direct docking supported
|
|
E3L043897
BDB043897
|
BDBM50016037
CC(C)C[C@H](NC(=O)C[C@@H](O)C(CC1CCCCC1)NC(=O)CCC[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1cccc(CN)c1
|
C42H65N5O6 736.011000 |
JRCKLJCODPYKHJ-FUPCJPBASA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50016037
|
Local ready
Direct docking supported
|
|
E3L043898
BDB043898
|
BDBM50016038
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
|
C41H67N7O6 754.030000 |
UUWXDTQGGDBJHG-KXMLRWMJSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50016038
|
Local ready
Direct docking supported
|
|
E3L043899
BDB043899
|
BDBM50016039
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)NCc1ccccc1
|
C41H54N4O7 714.904000 |
STPKHMDFEMVIQO-PVRPMRCRSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50016039
|
Local ready
Direct docking supported
|
|
E3L043900
BDB043900
|
BDBM50016040
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
|
C41H60N4O6 704.953000 |
XYBBWDRNDWZJPA-RUKGNQIQSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50016040
|
Local ready
Direct docking supported
|