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Related entries of code: 4csj
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1osvRCSB PDB    PDBbind12aa, >1OSV_2|Chains... at 100%
1p93RCSB PDB    PDBbind12aa, >1P93_2|Chains... at 100%
1t63RCSB PDB    PDBbind14aa, >1T63_2|Chain... at 100%
2ao6RCSB PDB    PDBbind25aa, >2AO6_2|Chain... *
3k22RCSB PDB    PDBbind12aa, >3K22_2|Chains... at 100%
3k23RCSB PDB    PDBbind12aa, >3K23_2|Chains... at 100%
3l0eRCSB PDB    PDBbind12aa, >3L0E_2|Chain... at 100%
4p6wRCSB PDB    PDBbind12aa, >4P6W_2|Chain... at 91%
4p6xRCSB PDB    PDBbind14aa, >4P6X_2|Chains... at 100%
5h1eRCSB PDB    PDBbind13aa, >5H1E_2|Chain... at 100%
5ickRCSB PDB    PDBbind11aa, >5ICK_2|Chains... at 100%
5q17RCSB PDB    PDBbind12aa, >5Q17_2|Chain... at 100%
5xplRCSB PDB    PDBbind13aa, >5XPL_2|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 ID4csj
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nameglucocorticoid receptor
Ligand NameNN7
EC.Number E.C.-.-.-.-
Resolution 2.3(Å)
Affinity (Kd/Ki/IC50)IC50=4.9nM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) Bioorg.Med.Chem.Lett. Vol. 24: pp. 2571-2577
Ligand Properties
Formula C25H27FN4O2S
Molecular Weight 466.571
Exact Mass 466.184
No. of atoms 60
No. of bonds 63
Polar Surface Area 84.4
LOGP Value 5.50      (Computed with XLOGP3)
6.41      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 6
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): Q15596  P04150  
Entrez Gene IDNCBI Entrez Gene ID: 10499  2908  
ASDInformation of known allosteric effects of PDB entries
 
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