2Y0J
Triazoloquinazolines as a novel class of phosphodiesterase 10A (PDE10A) inhibitors, part 2, Lead-optimisation.
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) | CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A | polymer | 340 | 39626.5 | 2 | UniProt (Q9Y233) | HOMO SAPIENS (HUMAN) | PHOSPHODIESTERASE 10A |
| 2 | C, F (A, B) | 5-(1H-BENZIMIDAZOL-2-YLMETHYLSULFANYL)-2-METHYL-[1,2,4]TRIAZOLO[1,5-C]QUINAZOLINE | non-polymer | 346.4 | 2 | Chemie (AXC) | |||
| 3 | D, G (A, B) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 4 | E, H (A, B) | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) | |||
| 5 | I, J (A, B) | water | water | 18.0 | 220 | Chemie (HOH) |
Sequence modifications
A, B: 432 - 764 (UniProt: Q9Y233)
| PDB | External Database | Details |
|---|---|---|
| Arg 765 | - | expression tag |
| His 766 | - | expression tag |
| His 767 | - | expression tag |
| His 768 | - | expression tag |
| His 769 | - | expression tag |
| His 770 | - | expression tag |
| His 771 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 79253.1 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 872.2 | |
| All* | Total formula weight | 80125.3 |
