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Related entries of code: 5uig
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5iu4RCSB PDB    PDBbind433aa, >5IU4_1|Chain... at 96%
5iu7RCSB PDB    PDBbind433aa, >5IU7_1|Chain... at 96%
5iu8RCSB PDB    PDBbind433aa, >5IU8_1|Chain... at 96%
5iuaRCSB PDB    PDBbind433aa, >5IUA_1|Chain... at 96%
5iubRCSB PDB    PDBbind433aa, >5IUB_1|Chain... at 96%
6aqfRCSB PDB    PDBbind432aa, >6AQF_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID5uig
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameAdenosine receptor A2a
Ligand Name8D1
EC.Number E.C.-.-.-.-
Resolution 3.5(Å)
Affinity (Kd/Ki/IC50)Ki=11.2nM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2017) Proc. Natl. Acad. Sci. U.S.A. Vol. 114: pp. 2066-2071
Ligand Properties
Formula C18H21N6O
Molecular Weight 337.399
Exact Mass 337.178
No. of atoms 46
No. of bonds 48
Polar Surface Area 105.95
LOGP Value 3.49      (Computed with XLOGP3)
1.43      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 7
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): P0ABE7  P29274  
Entrez Gene IDNCBI Entrez Gene ID: 135  
ASDInformation of known allosteric effects of PDB entries

 
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