Browse entries in the PDBbind-CN Database

Display Options: Structure:  




Goto PDB code:

3D presentation of molecule is powered by 3Dmol, which supports all modern browsers and mobile devices via WebGL.

           
Hold mouse button: left to rotate,middle to shift,right to zoom

Related entries of code: 5iub
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%
5uigRCSB PDB    PDBbind444aa, >5UIG_1|Chain... *
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 ID5iub
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namestabilized A2A adenosine receptor A2AR-StaR2-bRIL
Ligand Name6DV
EC.Number E.C.-.-.-.-
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)Ki=0.35nM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) J.Med.Chem. Vol. 59: pp. 6470-6479
Ligand Properties
Formula C20H22F2N9O
Molecular Weight 442.445
Exact Mass 442.192
No. of atoms 54
No. of bonds 58
Polar Surface Area 114.84
LOGP Value 2.43      (Computed with XLOGP3)
2.75      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 5
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
 
This site has been visited times since Nov 2007.


Copyright ©2007-2024    涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃    缃戠珯澶囨鍙凤細娌狪CP澶2021015625鍙-3    娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓


Technical Support锛堟妧鏈敮鎸侊級: yingsaisi@foxmail.com