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: 4hej
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4gfdRCSB PDB    PDBbind205aa, >4GFD_1|Chains... *
4gsyRCSB PDB    PDBbind205aa, >4GSY_1|Chains... at 100%
4hdcRCSB PDB    PDBbind205aa, >4HDC_1|Chains... at 100%
4hlcRCSB PDB    PDBbind205aa, >4HLC_1|Chains... at 100%
4hldRCSB PDB    PDBbind205aa, >4HLD_1|Chains... at 100%
4qg7RCSB PDB    PDBbind205aa, >4QG7_1|Chains... at 100%
4qgaRCSB PDB    PDBbind205aa, >4QGA_1|Chains... at 100%
4qgfRCSB PDB    PDBbind205aa, >4QGF_1|Chains... at 100%
4qggRCSB PDB    PDBbind205aa, >4QGG_1|Chains... at 100%
4qghRCSB PDB    PDBbind205aa, >4QGH_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4hej
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameThymidylate kinase
Ligand Name14D
EC.Number E.C.2.7.4.9
Resolution 2(Å)
Affinity (Kd/Ki/IC50)IC50=24000nM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) J.Med.Chem. Vol. 55: pp. 10010-10021
Ligand Properties
Formula C24H25F3N3O3
Molecular Weight 460.469
Exact Mass 460.185
No. of atoms 58
No. of bonds 61
Polar Surface Area 68.53
LOGP Value 4.08      (Computed with XLOGP3)
4.65      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 6
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): P65249  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
This site has been visited times since Nov 2007.


Copyright ©2007-2025    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