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Related entries of code: 2xyu
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2y6oRCSB PDB    PDBbind291aa, >2Y6O_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 ID2xyu
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameEPHRIN TYPE-A RECEPTOR 4,
Ligand NameQ9G
EC.Number E.C.2.7.10.1
Resolution 2.12(Å)
Affinity (Kd/Ki/IC50)IC50=4.5uM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Eur.J.Med.Chem. Vol. 47: pp. 493
Ligand Properties
Formula C17H13FN4
Molecular Weight 292.310
Exact Mass 292.112
No. of atoms 35
No. of bonds 38
Polar Surface Area 67.59
LOGP Value 3.85      (Computed with XLOGP3)
4.39      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 4
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): Q03137  
Entrez Gene IDNCBI Entrez Gene ID: 13838  
ASDInformation of known allosteric effects of PDB entries
 
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