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: 4yoi
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4yogRCSB PDB    PDBbind306aa, >4YOG_1|Chains... *
4yojRCSB PDB    PDBbind306aa, >4YOJ_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 ID4yoi
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Name3C-like proteinase, HKU4-3CLpro
Ligand Name4F4
EC.Number E.C.3.4.22.-
Resolution 1.82(Å)
Affinity (Kd/Ki/IC50)IC50=0.33uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Bioorg.Med.Chem. Vol. 23: pp. 6036-6048
Ligand Properties
Formula C24H19N5O2S2
Molecular Weight 473.570
Exact Mass 473.098
No. of atoms 52
No. of bonds 56
Polar Surface Area 136.6
LOGP Value 4.32      (Computed with XLOGP3)
5.11      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 7
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): P0C6W3  
Entrez Gene IDNCBI Entrez Gene ID: 4835998  
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