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Related entries of code: 4dff
Entries with 90% protein sequence similarity cutoff in PDBbind
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No similar entries are found!
Complexes with the same small molecule ligand
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No complexes with the same small molecule ligand are found!

Entry Information
PDB ID4dff
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NamecAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Ligand Name0JP
EC.Number E.C.3.1.4.17; E.C.3.1.4.35
Resolution 2.11(Å)
Affinity (Kd/Ki/IC50)Ki=35nM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Bioorg.Med.Chem.Lett. Vol. 22: pp. 2585-2589
Ligand Properties
Formula C16H15N3O2S
Molecular Weight 313.374
Exact Mass 313.088
No. of atoms 37
No. of bonds 40
Polar Surface Area 77.41
LOGP Value 2.31      (Computed with XLOGP3)
3.25      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 4
Canonical SMILES
InChI String

Links to External Databases
RCSB PDBThe mother database
PDBsumEnhanced annotations on PDB entries
PubchemComprehensive collection of chemical and biological data
UniProtKB ACUniProt accession number (AC): Q9Y233  
Entrez Gene IDNCBI Entrez Gene ID: 10846  
ASDInformation of known allosteric effects of PDB entries

 
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