Cloned (Comment) | Organism |
---|---|
- |
Homo sapiens |
Crystallization (Comment) | Organism |
---|---|
in complex with the (+)- and (-)-enantiomer of inhibitor 7-[4-[3-(2-chloro-3,6-difluorophenoxy)propyl]phenyl]-N-cyclopropyl-N-(2,3-dichlorobenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide. The hydrophobic interactions dominate the positioning of the inhibitors with the pseudosymmetry of the central template being able to establish the necessary hydrogen bonds in either orientation. Substitution of either of the two nitrogen atoms abolishes this pseudosymmetry and completely abrogates this observed effect | Homo sapiens |
Inhibitors | Comment | Organism | Structure |
---|---|---|---|
3-(5-amino-5-oxopentanoyl)-7-[4-[3-(2-bromo-5-fluorophenoxy)propyl]phenyl]-N-(2-chlorobenzyl)-N-cyclopropyl-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide | - |
Homo sapiens | |
3-(5-amino-5-oxopentanoyl)-7-[4-[3-(2-bromo-5-fluorophenoxy)propyl]phenyl]-N-(2-chlorobenzyl)-N-cyclopropyl-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide | - |
Rattus norvegicus | |
7-[4-[3-(2-chloro-3,6-difluorophenoxy)propyl]phenyl]-N-cyclopropyl-N-(2,3-dichlorobenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide | the (+)- and (-)-enantiomers are almost equally potent as renin inhibotrs in buffer and in plasma. crystallization data | Homo sapiens | |
7-[4-[3-(2-chloro-3,6-difluorophenoxy)propyl]phenyl]-N-cyclopropyl-N-(2,3-dichlorobenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide | - |
Rattus norvegicus | |
N-cyclopropyl-7-[4-[3-(2,6-dichloro-4-methylphenoxy)propyl]phenyl]-N-(2,3-dimethylbenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide | - |
Homo sapiens | |
N-cyclopropyl-7-[4-[3-(2,6-dichloro-4-methylphenoxy)propyl]phenyl]-N-(2,3-dimethylbenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide | inhibitor is well absorbed and reduces the blood pressure by about 30 mm Hg at 10 mg/kg in vivo | Rattus norvegicus |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Homo sapiens | P00797 | - |
- |
Rattus norvegicus | - |
- |
- |
IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
---|---|---|---|---|---|
0.0000002 | - |
in buffer | Homo sapiens | N-cyclopropyl-7-[4-[3-(2,6-dichloro-4-methylphenoxy)propyl]phenyl]-N-(2,3-dimethylbenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide | |
0.0000004 | - |
in buffer | Homo sapiens | 7-[4-[3-(2-chloro-3,6-difluorophenoxy)propyl]phenyl]-N-cyclopropyl-N-(2,3-dichlorobenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide | |
0.00000055 | - |
in buffer | Homo sapiens | 3-(5-amino-5-oxopentanoyl)-7-[4-[3-(2-bromo-5-fluorophenoxy)propyl]phenyl]-N-(2-chlorobenzyl)-N-cyclopropyl-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide | |
0.00019 | - |
in buffer | Homo sapiens | N-cyclopropyl-7-[4-[3-(2,6-dichloro-4-methylphenoxy)propyl]phenyl]-N-(2,3-dimethylbenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide | |
0.00036 | - |
in buffer | Homo sapiens | 7-[4-[3-(2-chloro-3,6-difluorophenoxy)propyl]phenyl]-N-cyclopropyl-N-(2,3-dichlorobenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide | |
0.00056 | - |
in buffer | Homo sapiens | 3-(5-amino-5-oxopentanoyl)-7-[4-[3-(2-bromo-5-fluorophenoxy)propyl]phenyl]-N-(2-chlorobenzyl)-N-cyclopropyl-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide |