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Related entries of code: 3vw7
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
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Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID3vw7
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namehuman protease-activated receptor 1 (PAR1)
Ligand NameVPX
EC.Number E.C.3.2.1.17
Resolution 2.2(Å)
Affinity (Kd/Ki/IC50)Ki=8nM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2010) Bioorg. Med. Chem. Lett., Vol.20, pp.6676-6679
Ligand Properties
Formula C29H35FN2O4
Molecular Weight 494.598
Exact Mass 494.258
No. of atoms 71
No. of bonds 75
Polar Surface Area 77.52
LOGP Value 5.45      (Computed with XLOGP3)
5.94      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 6
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): P25116  P00720  
Entrez Gene IDNCBI Entrez Gene ID: 2149  1258585  
ASDInformation of known allosteric effects of PDB entries
 
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