Structure of PDB 5sil Chain A Binding Site BS02

Receptor Information
>5sil Chain A (length=314) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKL
CRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLI
ACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGH
NIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNN
QSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGI
QPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDN
LSQWEKVIRGEETA
Ligand information
Ligand IDJQC
InChIInChI=1S/C20H18ClN5O/c1-11-6-12(2)8-13(7-11)19-24-16-5-4-14(9-17(16)25-19)23-20(27)18-15(21)10-22-26(18)3/h4-10H,1-3H3,(H,23,27)(H,24,25)
InChIKeyRNLFENJAPRXOBL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Cn1ncc(Cl)c1C(=O)Nc2ccc3[nH]c(nc3c2)c4cc(C)cc(C)c4
OpenEye OEToolkits 2.0.7Cc1cc(cc(c1)c2[nH]c3ccc(cc3n2)NC(=O)c4c(cnn4C)Cl)C
ACDLabs 12.01O=C(Nc1ccc2[NH]c(nc2c1)c1cc(C)cc(C)c1)c1c(Cl)cnn1C
FormulaC20 H18 Cl N5 O
Name4-chloro-N-[2-(3,5-dimethylphenyl)-1H-benzimidazol-5-yl]-1-methyl-1H-pyrazole-5-carboxamide
ChEMBL
DrugBank
ZINC
PDB chain5sil Chain A 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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PDB5sil Crystal Structure of a human phosphodiesterase 10 complex
Resolution2.5 Å
Binding residue
(original residue number in PDB)		I692 Y693 P712 M713 G725 Q726 F729
Binding residue
(residue number reindexed from 1)		I234 Y235 P254 M255 G267 Q268 F271
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

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:5sil, PDBe:5sil, PDBj:5sil
PDBsum5sil
PubMed
UniProtQ9Y233|PDE10_HUMAN cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Gene Name=PDE10A)

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