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Related entries of code: 5ndd
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 ID5ndd
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namehuman protease-activated receptor-2 (PAR2)
Ligand Name8TZ
EC.Number E.C.3.2.1.17
Resolution 2.8(Å)
Affinity (Kd/Ki/IC50)Kd=344nM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2017) Nature Vol. 545: pp. 112-115
Ligand Properties
Formula C13H15FN2O
Molecular Weight 234.269
Exact Mass 234.117
No. of atoms 32
No. of bonds 33
Polar Surface Area 48.91
LOGP Value 2.35      (Computed with XLOGP3)
2.58      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 3
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): P55085  P0ABE7  P00720  
Entrez Gene IDNCBI Entrez Gene ID: 2150  1258585  
ASDInformation of known allosteric effects of PDB entries

 
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