Browse entries in the PDBbind-CN Database

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Related entries of code: 4f49
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4zroRCSB PDB    PDBbind299aa, >4ZRO_1|Chains... at 92%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3ur9RCSB PDB    PDBbindK36
4dcdRCSB PDB    PDBbindK36

Entry Information
PDB ID4f49
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Name3C-like proteinase
Ligand NameK36
EC.Number E.C.3.4.22
Resolution 2.25(Å)
Affinity (Kd/Ki/IC50)IC50=0.82uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) J.Virol. Vol. 86: pp. 11754-11762
Ligand Properties
Formula C21H31N3O5
Molecular Weight 405.488
Exact Mass 405.226
No. of atoms 60
No. of bonds 61
Polar Surface Area 116.76
LOGP Value 1.66      (Computed with XLOGP3)
2.44      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 14
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): P0C6V2  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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