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Related entries of code: 4afj
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1gngRCSB PDB    PDBbind39aa, >1GNG:Y|PDBID|CHAIN|... at 100%
3zrkRCSB PDB    PDBbind32aa, >3ZRK:Y|PDBID|CHAIN|... at 93%
3zrlRCSB PDB    PDBbind32aa, >3ZRL:Y|PDBID|CHAIN|... at 93%
3zrmRCSB PDB    PDBbind32aa, >3ZRM:Y|PDBID|CHAIN|... at 93%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID4afj
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Ligand NameSJJ
EC.Number E.C.;
Resolution 1.98(Å)
Affinity (Kd/Ki/IC50)IC50=398nM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Bioorg.Med.Chem.Lett. Vol. 22: pp. 1989-1994
Ligand Properties
Formula C17H15N3O3
Molecular Weight 309.319
Exact Mass 309.111
No. of atoms 38
No. of bonds 40
Polar Surface Area 77.25
LOGP Value 2.01      (Computed with XLOGP3)
3.07      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 6
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): Q92837  P49841  
Entrez Gene IDNCBI Entrez Gene ID: 10023  2932  
ASDInformation of known allosteric effects of PDB entries

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