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Related entries of code: 3lkj
Entries with 90% protein sequence similarity cutoff in PDBbind
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Complexes with the same small molecule ligand
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No complexes with the same small molecule ligand are found!

Entry Information
PDB ID3lkj
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCD40 ligand, CD40L
Ligand NameLKJ
EC.Number E.C.-.-.-.-
Resolution 2.5(Å)
Affinity (Kd/Ki/IC50)IC50=25uM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2011) Acs Chem.Biol. Vol. 6: pp. 636-647
Ligand Properties
Formula C53H61N8O6
Molecular Weight 906.101
Exact Mass 905.471
No. of atoms 128
No. of bonds 136
Polar Surface Area 171.27
LOGP Value 5.94      (Computed with XLOGP3)
8.12      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 18
No. of Nitrogen and Oxygen Atoms: 14
No. of Rings: 9
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): P29965  
Entrez Gene IDNCBI Entrez Gene ID: 959  
ASDInformation of known allosteric effects of PDB entries

 
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