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Related entries of code: 6ets
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
6etgRCSB PDB    PDBbind342aa, >6ETG_1|Chain... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID6ets
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameLysine-specific demethylase 4D
Ligand NameI1L
EC.Number E.C.1.14.11
Resolution 1.33(Å)
Affinity (Kd/Ki/IC50)Kd=2.3uM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) Chemmedchem Vol. 14: pp. 1828-1839
Ligand Properties
Formula C3H7N6O
Molecular Weight 143.127
Exact Mass 143.068
No. of atoms 17
No. of bonds 17
Polar Surface Area 111.2
LOGP Value -2.02      (Computed with XLOGP3)
-2.59      (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: 1
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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