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Related entries of code: 6bfn
Entries with 90% protein sequence similarity cutoff in PDBbind
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No similar entries are found!
Complexes with the same small molecule ligand
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No complexes with the same small molecule ligand are found!

Entry Information
PDB ID6bfn
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameInterleukin-1 receptor-associated kinase 1
Ligand NameDL1
EC.Number E.C.-.-.-.-
Resolution 2.26(Å)
Affinity (Kd/Ki/IC50)IC50=9.3nM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2017) Proc. Natl. Acad. Sci. U.S.A. Vol. 114: pp. 13507-13512
Ligand Properties
Formula C20H21N5O3
Molecular Weight 379.412
Exact Mass 379.164
No. of atoms 49
No. of bonds 52
Polar Surface Area 92.37
LOGP Value 1.73      (Computed with XLOGP3)
2.71      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 8
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): P51617  
Entrez Gene IDNCBI Entrez Gene ID: 3654  
ASDInformation of known allosteric effects of PDB entries

 
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