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Related entries of code: 3zpq
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3zprRCSB PDB    PDBbind315aa, >3ZPR_1|Chains... at 94%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID3zpq
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameBETA-1 ADRENERGIC RECEPTOR
Ligand NameXF5
EC.Number E.C.-.-.-.-
Resolution 2.8(Å)
Affinity (Kd/Ki/IC50)Ki=67.6nM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) J.Med.Chem. Vol. 56: pp. 3446
Ligand Properties
Formula C12H16N3
Molecular Weight 202.276
Exact Mass 202.134
No. of atoms 31
No. of bonds 33
Polar Surface Area 35.64
LOGP Value 1.52      (Computed with XLOGP3)
2.19      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 0
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 3
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): P07700  
Entrez Gene IDNCBI Entrez Gene ID: 100303680  
ASDInformation of known allosteric effects of PDB entries
 
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