UniProt Q9Y233
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Q9Y233)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (UniProt Q9Y233), EC 3.1.4.17, 3.1.4.35: 447 experimental structures and 1 predicted model on GenesisL1, 286 ligands bound, 3,367 pockets. Binding sites…
- UniProt
- Q9Y233
- Protein
- cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
- EC
- 3.1.4.17, 3.1.4.35
- Experimental structures
- 447
- Predicted models
- 1
- Ligands
- 286
- Pockets
- 3,367 · 218 records with a druggable one
Structures
448 records of Q9Y233 in the MolNFT archive: 447 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 2OUN | crystal structure of PDE10A2 in complex with AMP | x-ray diffraction | A, B | — | — |
| 2OUN | Crystal structure of PDE10A2 in complex with AMP | x-ray diffraction | A, B | — | — |
| 2OUP | crystal structure of PDE10A | x-ray diffraction | A, B | — | — |
| 2OUP | Crystal structure of PDE10A | x-ray diffraction | A, B | — | — |
| 2OUQ | crystal structure of PDE10A2 in complex with GMP | x-ray diffraction | A, B | — | — |
| 2OUQ | Crystal structure of PDE10A2 in complex with gmp | x-ray diffraction | A, B | — | — |
| 2OUR | crystal structure of PDE10A2 mutant D674A in complex with cAMP | x-ray diffraction | A, B | — | — |
| 2OUR | Crystal structure of PDE10A2 mutant D674A in complex with camp | x-ray diffraction | A, B | — | — |
| 2OUS | crystal structure of PDE10A2 mutant D674A | x-ray diffraction | A, B | — | — |
| 2OUS | Crystal structure of PDE10A2 mutant D674A | x-ray diffraction | A, B | — | — |
| 2OUU | crystal structure of PDE10A2 mutant D674A in complex with cGMP | x-ray diffraction | A, B | — | — |
| 2OUU | Crystal structure of PDE10A2 mutant D674A in complex with cgmp | x-ray diffraction | A, B | — | — |
| 2OUV | crystal structure of pde10a2 mutant of D564N | x-ray diffraction | A, B | — | — |
| 2OUV | Crystal structure of PDE10A2 mutant of D564N | x-ray diffraction | A, B | — | — |
| 2OUY | crystal structure of pde10a2 mutant D564A in complex with cAMP. | x-ray diffraction | A, B | — | — |
| 2OUY | Crystal structure of PDE10A2 mutant D564A in complex with camp. | x-ray diffraction | A, B | — | — |
| 2WEY | Human PDE-papaverine complex obtained by ligand soaking of cross- linked protein crystals | x-ray diffraction | A, B | — | — |
| 2WEY | Human pde-papaverine complex obtained by ligand soaking of cross- linked protein crystals | x-ray diffraction | A, B | — | — |
| 2Y0J | Triazoloquinazolines as a novel class of phosphodiesterase 10A (PDE10A) inhibitors, part 2… | x-ray diffraction | A, B | — | — |
| 2Y0J | Triazoloquinazolines as a novel class of phosphodiesterase 10A (PDE10A) inhibitors, part 2… | x-ray diffraction | A, B | — | — |
| 2ZMF | Crystal structure of the C-terminal GAF domain of human phosphodiesterase 10A | x-ray diffraction | A, B | — | — |
| 2ZMF | Crystal structure of the C-terminal gaf domain of human phosphodiesterase 10A | x-ray diffraction | A, B | — | — |
| 3SN7 | Highly Potent, Selective, and Orally Active Phosphodiestarase 10A Inhibitors | x-ray diffraction | A, B | — | — |
| 3SN7 | Highly potent, selective, and orally active phosphodiestarase 10A inhibitors | x-ray diffraction | A, B | — | — |
| 3SNI | Highly Potent, Selective, and Orally Active Phosphodiestarase 10A Inhibitors | x-ray diffraction | A, B | — | — |
| 3SNI | Highly potent, selective, and orally active phosphodiestarase 10A inhibitors | x-ray diffraction | A, B | — | — |
| 3SNL | Highly Potent, Selective, and Orally Active Phosphodiestarase 10A Inhibitors | x-ray diffraction | A, B | — | — |
| 3SNL | Highly potent, selective, and orally active phosphodiestarase 10A inhibitors | x-ray diffraction | A, B | — | — |
| 3UI7 | Discovery of orally active pyrazoloquinoline as a potent PDE10 inhibitor for the management of… | x-ray diffraction | A, B | — | — |
| 3UI7 | Discovery of orally active pyrazoloquinoline as a potent PDE10 inhibitor for the management of… | x-ray diffraction | A, B | — | — |
| 3UUO | The discovery of potent, selectivity, and orally bioavailable pyrozoloquinolines as PDE10… | x-ray diffraction | A, B | — | — |
| 3UUO | The discovery of potent, selectivity, and orally bioavailable pyrozoloquinolines as PDE10… | x-ray diffraction | A, B | — | — |
| 3WI2 | Crystal structure of PDE10A in complex with inhibitor | x-ray diffraction | A, B | — | — |
| 3WI2 | Crystal structure of PDE10A in complex with inhibitor | x-ray diffraction | A, B | — | — |
| 3WS8 | Crystal structure of PDE10A in complex with a benzimidazole inhibitor | x-ray diffraction | A, B | — | — |
| 3WS8 | Crystal structure of PDE10A in complex with a benzimidazole inhibitor | x-ray diffraction | A, B | — | — |
| 3WS9 | Crystal structure of PDE10A in complex with a benzimdazole inhibitor | x-ray diffraction | A, B | — | — |
| 3WS9 | Crystal structure of PDE10A in complex with a benzimdazole inhibitor | x-ray diffraction | A, B | — | — |
| 3WYK | Crystal structure of the catalytic domain of PDE10A complexed with… | x-ray diffraction | A, B | — | — |
| 3WYK | Crystal structure of the catalytic domain of PDE10A complexed with 3… | x-ray diffraction | A, B | — | — |
| 3WYL | Crystal structure of the catalytic domain of PDE10A complexed with… | x-ray diffraction | A, B | — | — |
| 3WYL | Crystal structure of the catalytic domain of PDE10A complexed with 5… | x-ray diffraction | A, B | — | — |
| 3WYM | Crystal structure of the catalytic domain of PDE10A complexed with… | x-ray diffraction | A, B | — | — |
| 3WYM | Crystal structure of the catalytic domain of PDE10A complexed with 1… | x-ray diffraction | A, B | — | — |
| 4AEL | PDE10A in complex with the inhibitor AZ5 | x-ray diffraction | A, B | — | — |
| 4AEL | PDE10A in complex with the inhibitor AZ5 | x-ray diffraction | A, B | — | — |
| 4AJD | Identification and structural characterization of PDE10 fragment inhibitors | x-ray diffraction | A, D | — | — |
| 4AJD | Identification and structural characterization of PDE10 fragment inhibitors | x-ray diffraction | A, D | — | — |
| 4AJF | Identification and structural characterization of PDE10 fragment inhibitors | x-ray diffraction | A, D | — | — |
| 4AJF | Identification and structural characterization of PDE10 fragment inhibitors | x-ray diffraction | A, D | — | — |
| 4AJG | Identification and structural characterization of PDE10 fragment inhibitors | x-ray diffraction | A, D | — | — |
| 4AJG | Identification and structural characterization of PDE10 fragment inhibitors | x-ray diffraction | A, D | — | — |
| 4AJM | Development of a plate-based optical biosensor methodology to identify PDE10 fragment inhibitors | x-ray diffraction | A, D | — | — |
| 4AJM | Development of a plate-based optical biosensor methodology to identify PDE10 fragment inhibitors | x-ray diffraction | A, D | — | — |
| 4BBX | Discovery of a potent, selective and orally active PDE10A inhibitor for the treatment of… | x-ray diffraction | A, B | — | — |
| 4BBX | Discovery of a potent, selective and orally active PDE10A inhibitor for the treatment of… | x-ray diffraction | A, B | — | — |
| 4DDL | PDE10a Crystal Structure Complexed with Novel Inhibitor | x-ray diffraction | A, B | — | — |
| 4DDL | PDE10A crystal structure complexed with novel inhibitor | x-ray diffraction | A, B | — | — |
| 4DFF | The SAR development of dihydroimidazoisoquinoline derivatives as phosphodiesterase 10A inhibitors… | x-ray diffraction | A, B | — | — |
| 4DFF | The sar development of dihydroimidazoisoquinoline derivatives as phosphodiesterase 10A inhibitors… | x-ray diffraction | A, B | — | — |
388 records more on the page itself.
Ligands
- ZN · Zinc ion · in 300 records
- MG · Magnesium ion · in 299 records
- CL · Chloride ion · in 15 records
- PR · Praseodymium ion · in 9 records
- DZU · 8-[(E)-2-[5-methyl-1-[3-[3-(4-methylpiperazin-1-yl) propoxy]phenyl]benzimidazol-2-yl]ethenyl]quinoline · in 4 records
- 4PX · 3-(1-hydroxy-2-methylpropan-2-yl)-5-phenyl-3,5-dihydro-1H-imidazo[4,5-c][1,8]naphthyridine-2,4-dione · in 3 records
- 6RC · 4-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine · in 2 records
- 8G3 · 2-methyl-5-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl) ethyl]pyrazolo[1,5-a]pyrimidin-7-ol · in 2 records
- 8G6 · 7-(4-chlorophenyl)-2-methyl-pyrazolo[1,5-a]pyrimidine · in 2 records
- 8Q7 · 9-[(1S)-2,2-difluorocyclopropane-1-carbonyl]-6-[(4-methoxyphenyl)methyl]-8,9,10,11-tetrahydropyrido[4', 3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one · in 2 records
- 9G6 · N-[2-(7-methoxy-4-morpholin-4-yl-quinazolin-6-yl) oxyethyl]-1,3-benzothiazol-2-amine · in 2 records
- AEL · 2-{2-[5-methyl-1-(pyridin-4-yl)-1H-benzimidazol-2-yl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione · in 2 records
- AEO · 2-[2-(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione · in 2 records
- D6X · N-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]quinolin-2-amine · in 2 records
- D79 · 4-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-3,7,8,10-tetrazatricyclo[7.4.0.0^{2, 7}]trideca-1,3,5,8,10,12-hexaen-6-ol · in 2 records
- D7C · 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[(2S)-2-methyl-1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl]ethanone · in 2 records
- DKU · 3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl) ethyl]chromen-4-one · in 2 records
- DL0 · 6-chloranyl-3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl) ethyl]chromen-4-one · in 2 records
- EIK · 5,8-dimethyl-2-[2-(1-methyl-4-phenyl-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine · in 2 records
- IIR · {(4S)-2-cyclopropyl-6-[(1-methyl-4-phenyl-1H-imidazol-2-yl)ethynyl]imidazo[1,2-b]pyridazin-3-yl}methanol · in 2 records
- JKO · 1-methyl-4-(morpholine-4-carbonyl)-N-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide · in 2 records
- JY4 · 7,8-dimethoxy-1-methyl-2H-pyrazolo[3,4-c]cinnoline · in 2 records
- JY7 · 8-fluoro-6-methoxy-3-methyl-1-(3-methylpyridin-4-yl)-3H-pyrazolo[3,4-c]cinnoline · in 2 records
- 4Q0 · 2-{2-[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]ethyl}-4-(propan-2-yloxy)-1H-isoindole-1,3(2H)-dione · in 1 record
- 4XV · 6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine · in 1 record
- 4Y1 · 6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[2-(pyridin-2-yl)ethoxy]pyrimidin-4-amine · in 1 record
- 5AV · 5-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine · in 1 record
- 5AY · N-[(1-methyl-1H-pyrazol-4-yl)methyl]-5-{[(1S,2S)-2-(pyridin-2-yl)cyclopropyl]methoxy}pyrazolo[1,5-a]pyrimidin-7-amine · in 1 record
- 5M6 · 1-(4-chlorophenyl)-3-methyl-~{N}-[[(2~{R})-oxolan-2-yl]methyl]thieno[2,3-c]pyrazole-5-carboxamide · in 1 record
- 5M9 · 6-chloranyl-5,8-dimethyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine · in 1 record
Experiment against prediction
- 4DFF chain B against the predicted model Q9Y233: TM-score 1.00, RMSD 0.41 Å
- 4AJM chain D against the predicted model Q9Y233: TM-score 1.00, RMSD 0.46 Å
- 3WYK chain A against the predicted model Q9Y233: TM-score 0.99, RMSD 0.47 Å
- 3UI7 chain B against the predicted model Q9Y233: TM-score 0.99, RMSD 0.47 Å
- 3WYM chain A against the predicted model Q9Y233: TM-score 0.99, RMSD 0.47 Å
- 3WYL chain A against the predicted model Q9Y233: TM-score 0.99, RMSD 0.48 Å
- 4AJM chain A against the predicted model Q9Y233: TM-score 0.99, RMSD 0.54 Å
- 3UUO chain B against the predicted model Q9Y233: TM-score 0.99, RMSD 0.51 Å
- 2Y0J chain A against the predicted model Q9Y233: TM-score 0.99, RMSD 0.54 Å
- 4AEL chain A against the predicted model Q9Y233: TM-score 0.99, RMSD 0.57 Å
Elsewhere
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