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Related entries of code: 4yoj
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4yogRCSB PDB    PDBbind306aa, >4YOG_1|Chains... *
4yoiRCSB PDB    PDBbind306aa, >4YOI_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 ID4yoj
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Name3C-like proteinase, HKU4-3CLpro
Ligand NameRFM
EC.Number E.C.3.4.22.-
Resolution 1.9(Å)
Affinity (Kd/Ki/IC50)IC50=0.41uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Bioorg.Med.Chem. Vol. 23: pp. 6036-6048
Ligand Properties
Formula C26H21N5O2S
Molecular Weight 467.542
Exact Mass 467.142
No. of atoms 55
No. of bonds 59
Polar Surface Area 108.36
LOGP Value 4.31      (Computed with XLOGP3)
5.05      (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
 
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