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Related entries of code: 5ceh
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5k4lRCSB PDB    PDBbind790aa, >5K4L_1|Chains... at 100%
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 ID5ceh
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namehistone lysine demethylase KDM5A
Ligand Name50P
EC.Number E.C.1.14.11
Resolution 3.14(Å)
Affinity (Kd/Ki/IC50)IC50=10nM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) Nat.Chem.Biol. Vol. 12: pp. 531-538
Ligand Properties
Formula C16H14N4O
Molecular Weight 278.309
Exact Mass 278.117
No. of atoms 35
No. of bonds 37
Polar Surface Area 73.95
LOGP Value 2.80      (Computed with XLOGP3)
2.68      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 5
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): P29375  
Entrez Gene IDNCBI Entrez Gene ID: 5927  
ASDInformation of known allosteric effects of PDB entries

 
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