Structure of PDB 5skt Chain A Binding Site BS02

Receptor Information
>5skt Chain A (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 IDKIY
InChIInChI=1S/C17H21N3O/c1-12-18-16-10-14(21-11-13-4-5-13)6-7-15(16)17(19-12)20-8-2-3-9-20/h6-7,10,13H,2-5,8-9,11H2,1H3
InChIKeySDNSIQOGTASSGM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1nc2cc(ccc2c(n1)N3CCCC3)OCC4CC4
ACDLabs 12.01Cc1nc2cc(OCC3CC3)ccc2c(n1)N1CCCC1
CACTVS 3.385Cc1nc2cc(OCC3CC3)ccc2c(n1)N4CCCC4
FormulaC17 H21 N3 O
Name7-(cyclopropylmethoxy)-2-methyl-4-(pyrrolidin-1-yl)quinazoline
ChEMBL
DrugBank
ZINC
PDB chain5skt 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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PDB5skt Crystal Structure of a human phosphodiesterase 10 complex
Resolution2.02 Å
Binding residue
(original residue number in PDB)		L635 I692 Q726 F729
Binding residue
(residue number reindexed from 1)		L178 I235 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:5skt, PDBe:5skt, PDBj:5skt
PDBsum5skt
PubMed
UniProtQ9Y233|PDE10_HUMAN cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Gene Name=PDE10A)

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