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Related entries of code: 4yog
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4yoiRCSB PDB    PDBbind306aa, >4YOI_1|Chains... at 100%
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 ID4yog
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Name3C-like proteinase, HKU4-3CLpro
Ligand Name4F5
EC.Number E.C.3.4.22.-
Resolution 2(Å)
Affinity (Kd/Ki/IC50)IC50=1.8uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Bioorg.Med.Chem. Vol. 23: pp. 6036-6048
Ligand Properties
Formula C26H28N6O3S
Molecular Weight 504.604
Exact Mass 504.194
No. of atoms 64
No. of bonds 67
Polar Surface Area 137.46
LOGP Value 3.18      (Computed with XLOGP3)
4.60      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 9
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): P0C6W3  
Entrez Gene IDNCBI Entrez Gene ID: 4835998  
ASDInformation of known allosteric effects of PDB entries
 
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