Structure of PDB 5sgv Chain B Binding Site BS02

Receptor Information
>5sgv Chain B (length=315) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELE
KLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGL
LIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLE
GHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNL
NNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKL
GIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACR
DNLSQWEKVIRGEET
Ligand information
Ligand IDIYW
InChIInChI=1S/C20H16N4O/c25-19-12-14-23(15-16-7-3-1-4-8-16)22-20(19)18-11-13-21-24(18)17-9-5-2-6-10-17/h1-14H,15H2
InChIKeyZSHVSOBTUIHUTA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C1C=CN(Cc2ccccc2)N=C1c1ccnn1c1ccccc1
OpenEye OEToolkits 2.0.7c1ccc(cc1)CN2C=CC(=O)C(=N2)c3ccnn3c4ccccc4
CACTVS 3.385O=C1C=CN(Cc2ccccc2)N=C1c3ccnn3c4ccccc4
FormulaC20 H16 N4 O
Name1-benzyl-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one
ChEMBL
DrugBank
ZINC
PDB chain5sgv Chain B Residue 803 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5sgv Crystal Structure of a human phosphodiesterase 10 complex
Resolution2.0 Å
Binding residue
(original residue number in PDB)		L675 I692 F696 M713 Q726 F729
Binding residue
(residue number reindexed from 1)		L219 I236 F240 M257 Q270 F273
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:5sgv, PDBe:5sgv, PDBj:5sgv
PDBsum5sgv
PubMed
UniProtQ9Y233|PDE10_HUMAN cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Gene Name=PDE10A)

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