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Related entries of code: 6etg
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
6etsRCSB PDB    PDBbind341aa, >6ETS_1|Chain... 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 ID6etg
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameLysine-specific demethylase 4D
Ligand NameBWT
EC.Number E.C.1.14.11
Resolution 1.28(Å)
Affinity (Kd/Ki/IC50)IC50=21.8uM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) Chemmedchem Vol. 14: pp. 1828-1839
Ligand Properties
Formula C8H9N6O
Molecular Weight 205.197
Exact Mass 205.084
No. of atoms 24
No. of bonds 25
Polar Surface Area 111.2
LOGP Value -0.33      (Computed with XLOGP3)
-0.86      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 7
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): Q6B0I6  
Entrez Gene IDNCBI Entrez Gene ID: 55693  
ASDInformation of known allosteric effects of PDB entries
 
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