Browse entries in the PDBbind-CN Database

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Related entries of code: 4nru
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3sfgRCSB PDB    PDBbind517aa, >3SFG_1|Chains... at 99%
3upfRCSB PDB    PDBbind525aa, >3UPF_1|Chains... *
3ur0RCSB PDB    PDBbind515aa, >3UR0_1|Chains... at 100%
4o4rRCSB PDB    PDBbind515aa, >4O4R_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4nrtRCSB PDB    PDBbind2NG

Entry Information
PDB ID4nru
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamemNV-RdRp
Ligand Name2NG
EC.Number E.C.-.-.-.-
Resolution 2.3(Å)
Affinity (Kd/Ki/IC50)IC50=115nM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) Plos One Vol. 9.e91765: pp.1-10
Ligand Properties
Formula C25H23N3O10S2
Molecular Weight 589.594
Exact Mass 589.082
No. of atoms 63
No. of bonds 66
Polar Surface Area 276
LOGP Value 2.70      (Computed with XLOGP3)
7.40      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 13
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): Q80J95  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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