3N4C
6-Phenyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile as cathepsin S inhibitors
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Cathepsin S | polymer | 217 | 24006.9 | 2 | UniProt (P25774) Pfam (PF00112) | Homo sapiens (human) | |
| 2 | C, E (A, B) | (E)-1-(1-methyl-6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}-1H-imidazo[4,5-c]pyridin-4-yl)methanimine | non-polymer | 460.5 | 2 | Chemie (EF3) | |||
| 3 | D, G (A, B) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 2 | Chemie (DMS) | |||
| 4 | F (B) | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 5 | H, I (A, B) | water | water | 18.0 | 195 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 48013.9 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 1173.3 | |
| All* | Total formula weight | 49187.2 |
