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Related entries of code: 3h3c
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3et7RCSB PDB    PDBbind277aa, >3ET7:A|PDBID|CHAIN|... at 100%
3fzrRCSB PDB    PDBbind277aa, >3FZR:A|PDBID|CHAIN|... at 100%
3fzsRCSB PDB    PDBbind277aa, >3FZS:A|PDBID|CHAIN|... at 100%
3fztRCSB PDB    PDBbind277aa, >3FZT:A|PDBID|CHAIN|... at 100%
4h1jRCSB PDB    PDBbind293aa, >4H1J:A|PDBID|CHAIN|... *
4h1mRCSB PDB    PDBbind293aa, >4H1M:A|PDBID|CHAIN|... at 100%
5to8RCSB PDB    PDBbind282aa, >5TO8:A|PDBID|CHAIN|... at 98%
5tobRCSB PDB    PDBbind282aa, >5TOB:A|PDBID|CHAIN|... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID3h3c
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameProtein tyrosine kinase 2 beta, PYK2
Ligand NameP1E
EC.Number E.C.2.7.10.2
Resolution 2(Å)
Affinity (Kd/Ki/IC50)IC50=140nM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2009) Bioorg.Med.Chem.Lett. Vol. 19: pp. 3253-3258
Ligand Properties
Formula C19H26F3N6O2S
Molecular Weight 459.509
Exact Mass 459.179
No. of atoms 57
No. of bonds 59
Polar Surface Area 108.83
LOGP Value 3.26      (Computed with XLOGP3)
3.24      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 8
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): Q14289  
Entrez Gene IDNCBI Entrez Gene ID: 2185  
ASDInformation of known allosteric effects of PDB entries

 
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