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Related entries of code: 4jg7
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4jg6RCSB PDB    PDBbind355aa, >4JG6_1|Chain... at 98%
4jg8RCSB PDB    PDBbind355aa, >4JG8_1|Chain... at 98%
4m8tRCSB PDB    PDBbind355aa, >4M8T_1|Chain... at 98%
4maoRCSB PDB    PDBbind355aa, >4MAO_1|Chain... at 98%
5o1sRCSB PDB    PDBbind364aa, >5O1S_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 ID4jg7
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameRibosomal protein S6 kinase alpha-3
Ligand Name1LC
EC.Number E.C.2.7.11.1
Resolution 3(Å)
Affinity (Kd/Ki/IC50)IC50=0.12uM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) J.Am.Chem.Soc. Vol. 135: pp. 5298-5301
Ligand Properties
Formula C18H14N4O2
Molecular Weight 318.329
Exact Mass 318.112
No. of atoms 38
No. of bonds 40
Polar Surface Area 112.63
LOGP Value 1.75      (Computed with XLOGP3)
2.66      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 6
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): P51812  
Entrez Gene IDNCBI Entrez Gene ID: 6197  
ASDInformation of known allosteric effects of PDB entries

 
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