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: 5wej
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3ur9RCSB PDB    PDBbind188aa, >3UR9_1|Chains... *
4imqRCSB PDB    PDBbind183aa, >4IMQ_1|Chain... at 98%
4imzRCSB PDB    PDBbind183aa, >4IMZ_1|Chain... at 98%
4inhRCSB PDB    PDBbind185aa, >4INH_1|Chains... at 97%
4xbbRCSB PDB    PDBbind188aa, >4XBB_1|Chain... at 100%
4xbdRCSB PDB    PDBbind188aa, >4XBD_1|Chains... at 100%
5dg6RCSB PDB    PDBbind188aa, >5DG6_1|Chains... at 98%
5dgjRCSB PDB    PDBbind188aa, >5DGJ_1|Chain... at 98%
5e0gRCSB PDB    PDBbind188aa, >5E0G_1|Chain... at 98%
5e0hRCSB PDB    PDBbind188aa, >5E0H_1|Chains... at 98%
5e0jRCSB PDB    PDBbind188aa, >5E0J_1|Chain... at 98%
5t6fRCSB PDB    PDBbind188aa, >5T6F_1|Chains... at 98%
5t6gRCSB PDB    PDBbind188aa, >5T6G_1|Chains... at 98%
5tg1RCSB PDB    PDBbind188aa, >5TG1_1|Chain... at 98%
5tg2RCSB PDB    PDBbind188aa, >5TG2_1|Chain... at 98%
6bidRCSB PDB    PDBbind188aa, >6BID_1|Chain... at 98%
6bicRCSB PDB    PDBbind188aa, >6BIC_1|Chains... at 98%
6bibRCSB PDB    PDBbind188aa, >6BIB_1|Chains... 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 ID5wej
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Name3CL protease
Ligand NameV45
EC.Number E.C.-.-.-.-
Resolution 1.95(Å)
Affinity (Kd/Ki/IC50)IC50=15.3uM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2017) Eur J Med Chem Vol. 143: pp. 881-890
Ligand Properties
Formula C16H25N3O5
Molecular Weight 339.387
Exact Mass 339.179
No. of atoms 49
No. of bonds 50
Polar Surface Area 113.57
LOGP Value 0.12      (Computed with XLOGP3)
0.75      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 2
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): Q83883  
Entrez Gene IDNCBI Entrez Gene ID: 1491970  
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