5TMK
Optimization of 3,5-Disubstitued Piperidine: Discovery of Non-Peptide mimetics as an Orally Active Renin Inhibitor
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | Renin | polymer | 337 | 36939.6 | 2 | UniProt (P00797) Pfam (PF00026) In PDB | Homo sapiens (Human) | Angiotensinogenase |
| 2 | A | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 1 | Chemie (NAG) | |||
| 3 | A, B | 1-(4-methoxybutyl)-N-(2-methylpropyl)-N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]-5-phenyl-1H-pyrrole-2-carboxamide | non-polymer | 524.7 | 2 | Chemie (7EJ) | |||
| 4 | A | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 3 | Chemie (DMS) | |||
| 5 | B | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 1 | Chemie (PEG) | |||
| 6 | water | water | 18.0 | 41 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 73879.2 | |
| Non-Polymers* | Number of molecules | 7 |
| Total formula weight | 1611.1 | |
| All* | Total formula weight | 75490.3 |
