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: 4h1j
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3et7RCSB PDB    PDBbind277aa, >3ET7_1|Chain... at 100%
3fzrRCSB PDB    PDBbind277aa, >3FZR_1|Chain... at 100%
3fzsRCSB PDB    PDBbind277aa, >3FZS_1|Chain... at 100%
3fztRCSB PDB    PDBbind277aa, >3FZT_1|Chain... at 100%
3h3cRCSB PDB    PDBbind277aa, >3H3C_1|Chain... at 100%
4h1mRCSB PDB    PDBbind293aa, >4H1M_1|Chain... at 100%
5to8RCSB PDB    PDBbind282aa, >5TO8_1|Chain... at 98%
5tobRCSB PDB    PDBbind282aa, >5TOB_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 ID4h1j
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameProtein-tyrosine kinase 2-beta
Ligand Name0YH
EC.Number E.C.2.7.10.2
Resolution 2(Å)
Affinity (Kd/Ki/IC50)IC50=1200nM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Bioorg.Med.Chem.Lett. Vol. 22: pp. 7523-7529
Ligand Properties
Formula C26H30N6O2
Molecular Weight 458.555
Exact Mass 458.243
No. of atoms 64
No. of bonds 67
Polar Surface Area 96.86
LOGP Value 5.48      (Computed with XLOGP3)
5.98      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 8
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): Q14289  
Entrez Gene IDNCBI Entrez Gene ID: 2185  
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