Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T84133 | Target Info | |||
| Target Name | Phosphodiesterase 10A (PDE10) | ||||
| Synonyms | cAMP and cAMPinhibited cGMP 3',5'cyclic phosphodiesterase 10A; cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | PDE10A | ||||
| Biochemical Class | Phosphoric diester hydrolase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | 1-methyl-4-(morpholine-4-carbonyl)-N-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide | Ligand Info | |||
| Canonical SMILES | CN1C(=C(C=N1)C(=O)N2CCOCC2)C(=O)NC3=CC4=NC(=CN4C=C3)C5=CC=CC=C5 | ||||
| InChI | 1S/C23H22N6O3/c1-27-21(18(14-24-27)23(31)28-9-11-32-12-10-28)22(30)25-17-7-8-29-15-19(26-20(29)13-17)16-5-3-2-4-6-16/h2-8,13-15H,9-12H2,1H3,(H,25,30) | ||||
| InChIKey | YWXZEIPVVSJGRV-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 51034710 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 5SI1 Crystal Structure of human phosphodiesterase 10 in complex with 2-methyl-4-(morpholine-4-carbonyl)-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-3-carboxamide, space group I23 | ||||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [1] |
| PDB Sequence |
LMQFTLPVRL
468 CKEIELFHFD478 IGPFENMWPG488 IFVYMVHRSC498 GTSCFELEKL508 RFIMSVKKNY 519 RRVPYHNWKH529 AVTVAHCMYA539 ILQNNHTLFT549 DLERKGLLIA559 CLCHDLDHRG 569 FSNSYLQKFD579 HPLAALYSTS589 TMEQHHFSQT599 VSILQLEGHN609 IFSTLSSSEY 619 EQVLEIIRKA629 IIATDLALYF639 GNRKQLEEMY649 QTGSLNLNNQ659 SHRDRVIGLM 669 MTACDLCSVT679 KLWPVTKLTA689 NDIYAEFWAE699 GDEMKKLGIQ709 PIPMMDRDKK 719 DEVPQGQLGF729 YNAVAIPCYT739 TLTQILPPTE749 PLLKACRDNL759 SQWEKVIRGE 769 ETA
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| PDB ID: 5SK5 Crystal Structure of human phosphodiesterase 10 in complex with 2-methyl-4-(morpholine-4-carbonyl)-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-3-carboxamide, space group H3 | ||||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [2] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 2 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
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