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: 4xnw
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4xnvRCSB PDB    PDBbind421aa, >4XNV_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 ID4xnw
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namehuman P2Y1 receptor
Ligand Name2ID
EC.Number E.C.-.-.-.-
Resolution 2.7(Å)
Affinity (Kd/Ki/IC50)Ki=18.4nM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Nature Vol. 520: pp. 317-321
Ligand Properties
Formula C13H20IN5O8P2
Molecular Weight 563.179
Exact Mass 562.983
No. of atoms 49
No. of bonds 52
Polar Surface Area 222.65
LOGP Value -2.16      (Computed with XLOGP3)
0.21      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 9
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 13
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): P47900  P00268  
Entrez Gene IDNCBI Entrez Gene ID: 5028  
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