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Related entries of code: 4npv
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5uoyRCSB PDB    PDBbind361aa, >5UOY_1|Chain... at 100%
5up0RCSB PDB    PDBbind361aa, >5UP0_1|Chain... at 100%
5w6eRCSB PDB    PDBbind369aa, >5W6E_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID4npv
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCalcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B
Ligand Name0NK
EC.Number E.C.3.1.4.17
Resolution 2.4(Å)
Affinity (Kd/Ki/IC50)IC50=35nM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) Med. Chem. Commun. vol. 5: pp.1290-1296
Ligand Properties
Formula C16H23N3O3
Molecular Weight 305.372
Exact Mass 305.174
No. of atoms 45
No. of bonds 46
Polar Surface Area 65.5
LOGP Value 3.63      (Computed with XLOGP3)
3.33      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 2
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): Q01064  
Entrez Gene IDNCBI Entrez Gene ID: 5153  
ASDInformation of known allosteric effects of PDB entries

 
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