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Related entries of code: 2ly0
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID2ly0
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameMembrane ion channel M2
Ligand NameA2Y
EC.Number E.C.-.-.-.-
Resolution NMR
Affinity (Kd/Ki/IC50)IC50=16uM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Proc.Natl.Acad.Sci.USA Vol. 110: pp. 1315-1320
Ligand Properties
Formula C18H23N2OS
Molecular Weight 315.453
Exact Mass 315.153
No. of atoms 45
No. of bonds 49
Polar Surface Area 70.88
LOGP Value 3.82      (Computed with XLOGP3)
3.44      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 5
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): Q6XT21  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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