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Related entries of code: 5k4l
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5cehRCSB PDB    PDBbind790aa, >5CEH_1|Chain... *
5v9pRCSB PDB    PDBbind790aa, >5V9P_1|Chain... at 100%
5v9tRCSB PDB    PDBbind790aa, >5V9T_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID5k4l
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameLysine-specific demethylase 5A, KDM5A
Ligand Name6QN
EC.Number E.C.1.14.11
Resolution 3.18(Å)
Affinity (Kd/Ki/IC50)IC50=0.05uM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) Bioorg.Med.Chem.Lett. Vol. 26: pp. 4492-4496
Ligand Properties
Formula C11H11N3O3
Molecular Weight 233.223
Exact Mass 233.080
No. of atoms 28
No. of bonds 29
Polar Surface Area 95.08
LOGP Value 0.58      (Computed with XLOGP3)
0.77      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 6
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): P29375  
Entrez Gene IDNCBI Entrez Gene ID: 5927  
ASDInformation of known allosteric effects of PDB entries

 
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