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Related entries of code: 4yzn
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4yzmRCSB PDB    PDBbind287aa, >4YZM_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4yzn
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameProbable serine/threonine-protein kinase roco4 (F1107L/F1161L)
Ligand Name4K5
EC.Number E.C.2.7.11.1
Resolution 1.55(Å)
Affinity (Kd/Ki/IC50)IC50=15.4uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) J.Med.Chem. Vol. 58: pp. 3751-3756
Ligand Properties
Formula C20H21F4N5O3
Molecular Weight 455.406
Exact Mass 455.158
No. of atoms 53
No. of bonds 56
Polar Surface Area 88.61
LOGP Value 2.99      (Computed with XLOGP3)
3.52      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 4
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): Q6XHB2  
Entrez Gene IDNCBI Entrez Gene ID: 8626525  
ASDInformation of known allosteric effects of PDB entries
 
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