Browse entries in the PDBbind-CN Database

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Related entries of code: 6ffs
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
6ffnRCSB PDB    PDBbind182aa, >6FFN_1|Chain... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID6ffs
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Name3C protease
Ligand NameD8E
EC.Number E.C.-.-.-.-
Resolution 1.86(Å)
Affinity (Kd/Ki/IC50)IC50=0.063uM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) Bioorg. Med. Chem. Lett. Vol. 28: pp. 906-909
Ligand Properties
Formula C26H34FN5O6
Molecular Weight 531.576
Exact Mass 531.249
No. of atoms 72
No. of bonds 74
Polar Surface Area 153.87
LOGP Value 1.21      (Computed with XLOGP3)
1.83      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 11
No. of Rings: 3
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): P04936  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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