Browse entries in the PDBbind-CN Database

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Related entries of code: 6jio
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
6s5kRCSB PDB    PDBbind245aa, >6S5K_1|Chain... at 98%
1pq6RCSB PDB    PDBbind253aa, >1PQ6_1|Chains... at 97%
1pqcRCSB PDB    PDBbind253aa, >1PQC_1|Chains... at 97%
6s4uRCSB PDB    PDBbind245aa, >6S4U_1|Chains... at 98%
6s4tRCSB PDB    PDBbind245aa, >6S4T_1|Chain... at 98%
6s4nRCSB PDB    PDBbind245aa, >6S4N_1|Chains... at 98%
3kfcRCSB PDB    PDBbind253aa, >3KFC_1|Chains... at 97%
4rakRCSB PDB    PDBbind264aa, >4RAK_1|Chains... at 95%
5jy3RCSB PDB    PDBbind264aa, >5JY3_1|Chains... at 95%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID6jio
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameLXR-beta
Ligand NameBQ3
EC.Number E.C.-.-.-.-
Resolution 2.6(Å)
Affinity (Kd/Ki/IC50)Ki=28uM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) Eur.J.Med.Chem. Vol. 178: pp. 458-467
Ligand Properties
Formula C14H20N2O2
Molecular Weight 248.321
Exact Mass 248.152
No. of atoms 38
No. of bonds 39
Polar Surface Area 55.56
LOGP Value 1.96      (Computed with XLOGP3)
3.08      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 2
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): P55055  
Entrez Gene IDNCBI Entrez Gene ID: 7376  
ASDInformation of known allosteric effects of PDB entries
 
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