Structure of PDB 5sin Chain C Binding Site BS02

Receptor Information
>5sin Chain C (length=313) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEK
LCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLL
IACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEG
HNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLN
NQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLG
IQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRD
NLSQWEKVIRGEE
Ligand information
Ligand IDJQU
InChIInChI=1S/C18H14N4OS/c1-12-14-11-16(20-17(23)13-7-3-2-4-8-13)24-18(14)22(21-12)15-9-5-6-10-19-15/h2-11H,1H3,(H,20,23)
InChIKeySDTFXLSMMOZWHK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Cc1nn(c2sc(NC(=O)c3ccccc3)cc12)c4ccccn4
OpenEye OEToolkits 2.0.7Cc1c2cc(sc2n(n1)c3ccccn3)NC(=O)c4ccccc4
ACDLabs 12.01O=C(Nc1cc2c(C)nn(c3ccccn3)c2s1)c1ccccc1
FormulaC18 H14 N4 O S
NameN-[3-methyl-1-(pyridin-2-yl)-1H-thieno[2,3-c]pyrazol-5-yl]benzamide
ChEMBL
DrugBank
ZINC
PDB chain5sin Chain C Residue 803 [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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PDB5sin Crystal Structure of a human phosphodiesterase 10 complex
Resolution2.4 Å
Binding residue
(original residue number in PDB)		L635 I692 M713 Q726 F729
Binding residue
(residue number reindexed from 1)		L178 I235 M256 Q269 F272
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:5sin, PDBe:5sin, PDBj:5sin
PDBsum5sin
PubMed
UniProtQ9Y233|PDE10_HUMAN cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Gene Name=PDE10A)

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