Browse entries in the PDBbind-CN Database

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Related entries of code: 1pq6
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
6s5kRCSB PDB    PDBbind245aa, >6S5K_1|Chain... at 98%
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%
6jioRCSB PDB    PDBbind274aa, >6JIO_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3ipqRCSB PDB    PDBbind965

Entry Information
PDB ID1pq6
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameLigand binding domain of HUMAN LXR BETA HORMONE RECEPTOR
Ligand Name965
EC.Number E.C.-.-.-.-
Resolution 2.4(Å)
Affinity (Kd/Ki/IC50)IC50=7.94nM
Release Year2003
Protein/NA SequenceCheck fasta file
Primary Reference (2010) J. Med. Chem., Vol.53, pp.3412-3416
Ligand Properties
Formula C33H32ClF3NO3
Molecular Weight 583.060
Exact Mass 582.202
No. of atoms 73
No. of bonds 76
Polar Surface Area 50.97
LOGP Value 7.33      (Computed with XLOGP3)
6.67      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 4
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): P55055  
Entrez Gene IDNCBI Entrez Gene ID: 7376  
ASDInformation of known allosteric effects of PDB entries

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