Structure of PDB 5sj3 Chain B Binding Site BS02

Receptor Information
>5sj3 Chain B (length=318) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCF
ELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLER
KGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSIL
QLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGS
LNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEM
KKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLK
ACRDNLSQWEKVIRGEET
Ligand information
Ligand IDJX0
InChIInChI=1S/C18H18ClN3OS/c1-12-15-11-16(17(23)21-9-3-2-4-10-21)24-18(15)22(20-12)14-7-5-13(19)6-8-14/h5-8,11H,2-4,9-10H2,1H3
InChIKeyXIGJPULZGSRFEL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1c2cc(sc2n(n1)c3ccc(cc3)Cl)C(=O)N4CCCCC4
CACTVS 3.385Cc1nn(c2ccc(Cl)cc2)c3sc(cc13)C(=O)N4CCCCC4
ACDLabs 12.01Clc1ccc(cc1)n1nc(C)c2cc(sc21)C(=O)N1CCCCC1
FormulaC18 H18 Cl N3 O S
Name[1-(4-chlorophenyl)-3-methyl-1H-thieno[2,3-c]pyrazol-5-yl](piperidin-1-yl)methanone
ChEMBL
DrugBank
ZINCZINC000002406940
PDB chain5sj3 Chain B Residue 804 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5sj3 Crystal Structure of a human phosphodiesterase 10 complex
Resolution2.1 Å
Binding residue
(original residue number in PDB)		F639 L675 V678 I692 M713 F729
Binding residue
(residue number reindexed from 1)		F186 L222 V225 I239 M260 F276
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.4.17: 3',5'-cyclic-nucleotide phosphodiesterase.
Gene Ontology
Molecular Function
GO:0004114 3',5'-cyclic-nucleotide phosphodiesterase activity
GO:0008081 phosphoric diester hydrolase activity
Biological Process
GO:0007165 signal transduction

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Molecular Function
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Biological Process
External links
PDB RCSB:5sj3, PDBe:5sj3, PDBj:5sj3
PDBsum5sj3
PubMed
UniProtQ9Y233|PDE10_HUMAN cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Gene Name=PDE10A)

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