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Related entries of code: 4u58
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1y2aRCSB PDB    PDBbind428aa, >1Y2A_1|Chain... at 100%
4u54RCSB PDB    PDBbind425aa, >4U54_1|Chain... at 100%
4u5lRCSB PDB    PDBbind426aa, >4U5L_1|Chain... at 100%
4u5nRCSB PDB    PDBbind426aa, >4U5N_1|Chain... at 100%
4u5oRCSB PDB    PDBbind426aa, >4U5O_1|Chain... at 100%
4u5sRCSB PDB    PDBbind426aa, >4U5S_1|Chain... at 100%
4u5uRCSB PDB    PDBbind426aa, >4U5U_1|Chain... at 100%
4u5vRCSB PDB    PDBbind426aa, >4U5V_1|Chain... 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 ID4u58
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameImportin subunit alpha-1
Ligand Name3C6
EC.Number E.C.-.-.-.-
Resolution 2.56(Å)
Affinity (Kd/Ki/IC50)Kd>10.0mM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Chemmedchem Vol. 10: pp. 1232-1239
Ligand Properties
Formula C18H23N4O2
Molecular Weight 327.401
Exact Mass 327.182
No. of atoms 47
No. of bonds 48
Polar Surface Area 112.72
LOGP Value 0.87      (Computed with XLOGP3)
1.84      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 6
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): P52293  
Entrez Gene IDNCBI Entrez Gene ID: 16647  
ASDInformation of known allosteric effects of PDB entries
 
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