4DFF
The SAR development of dihydroimidazoisoquinoline derivatives as phosphodiesterase 10A inhibitors for the treatment of schizophrenia
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | polymer | 352 | 40497.5 | 2 | UniProt (Q9Y233) In PDB | Homo sapiens (human) | |
| 2 | A, B | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) | |||
| 3 | A, B | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 4 | B | 8,9-dimethoxy-1-(1,3-thiazol-5-yl)-5,6-dihydroimidazo[5,1-a]isoquinoline | non-polymer | 313.4 | 1 | Chemie (0JP) | |||
| 5 | water | water | 18.0 | 53 | Chemie (HOH) |
Sequence modifications
A, B: 439 - 789 (UniProt: Q9Y233)
| PDB | External Database | Details |
|---|---|---|
| Gly 438 | - | EXPRESSION TAG |
| Ser 446 | - | EXPRESSION TAG |
| His 447 | - | EXPRESSION TAG |
| Met 448 | - | EXPRESSION TAG |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 80994.9 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 492.8 | |
| All* | Total formula weight | 81487.7 |
