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Related entries of code: 2ydv
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2ydoRCSB PDB    PDBbind325aa, >2YDO_1|Chain... at 93%
3pwhRCSB PDB    PDBbind329aa, >3PWH_1|Chain... at 91%
3reyRCSB PDB    PDBbind329aa, >3REY_1|Chain... at 91%
3uzaRCSB PDB    PDBbind329aa, >3UZA_1|Chain... at 91%
3uzcRCSB PDB    PDBbind329aa, >3UZC_1|Chain... at 91%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
5g53RCSB PDB    PDBbindNEC
6d28RCSB PDB    PDBbindNEC
6gdgRCSB PDB    PDBbindNEC
Entry Information
PDB ID2ydv
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameADENOSINE RECEPTOR A2A
Ligand NameNEC
EC.Number E.C.-.-.-.-
Resolution 2.6(Å)
Affinity (Kd/Ki/IC50)Ki=13.8nM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2011) Nature Vol. 474: pp. 521
Ligand Properties
Formula C12H16N6O4
Molecular Weight 308.293
Exact Mass 308.123
No. of atoms 38
No. of bonds 40
Polar Surface Area 148.41
LOGP Value -1.54      (Computed with XLOGP3)
-0.86      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 10
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): P29274  
Entrez Gene IDNCBI Entrez Gene ID: 135  
ASDInformation of known allosteric effects of PDB entries
 
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