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Related entries of code: 3ipu
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1fm9RCSB PDB    PDBbind25aa, >1FM9_3|Chains... *
1n4hRCSB PDB    PDBbind15aa, >1N4H_2|Chain... at 100%
2hfpRCSB PDB    PDBbind21aa, >2HFP_2|Chain... at 100%
2o9iRCSB PDB    PDBbind15aa, >2O9I_2|Chains... at 100%
3ipqRCSB PDB    PDBbind25aa, >3IPQ_2|Chain... at 100%
3ipsRCSB PDB    PDBbind25aa, >3IPS_2|Chains... at 100%
3lmpRCSB PDB    PDBbind15aa, >3LMP_2|Chain... at 100%
3t03RCSB PDB    PDBbind18aa, >3T03_2|Chains... at 100%
4dm6RCSB PDB    PDBbind25aa, >4DM6_2|Chains... at 100%
4dm8RCSB PDB    PDBbind25aa, >4DM8_2|Chains... at 100%
4dmaRCSB PDB    PDBbind15aa, >4DMA_2|Chains... at 100%
4fgyRCSB PDB    PDBbind11aa, >4FGY_2|Chain... at 100%
4mg5RCSB PDB    PDBbind13aa, >4MG5_2|Chains... at 100%
4mg6RCSB PDB    PDBbind13aa, >4MG6_2|Chains... at 100%
4mg7RCSB PDB    PDBbind13aa, >4MG7_3|Chains... at 100%
4mg8RCSB PDB    PDBbind13aa, >4MG8_3|Chains... at 100%
4mg9RCSB PDB    PDBbind13aa, >4MG9_3|Chains... at 100%
4mgaRCSB PDB    PDBbind13aa, >4MGA_3|Chains... at 100%
4mgbRCSB PDB    PDBbind13aa, >4MGB_3|Chains... at 100%
4mgcRCSB PDB    PDBbind13aa, >4MGC_2|Chains... at 100%
4mgdRCSB PDB    PDBbind13aa, >4MGD_3|Chains... at 100%
4wpfRCSB PDB    PDBbind11aa, >4WPF_2|Chains... at 90%
5aviRCSB PDB    PDBbind25aa, >5AVI_2|Chains... at 100%
6fo7RCSB PDB    PDBbind15aa, >6FO7_2|Chain... at 100%
6fo8RCSB PDB    PDBbind15aa, >6FO8_2|Chain... at 100%
6fo9RCSB PDB    PDBbind15aa, >6FO9_2|Chain... at 100%
6fobRCSB PDB    PDBbind15aa, >6FOB_2|Chain... at 100%
6fodRCSB PDB    PDBbind15aa, >6FOD_2|Chain... at 100%
6ilqRCSB PDB    PDBbind25aa, >6ILQ_2|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID3ipu
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameOxysterols receptor LXR-alpha
Ligand NameO40
EC.Number E.C.-.-.-.-
Resolution 2.4(Å)
Affinity (Kd/Ki/IC50)Ki=48nM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2010) J.Mol.Biol. Vol. 399: pp. 120-132
Ligand Properties
Formula C23H24F3N3O5
Molecular Weight 479.449
Exact Mass 479.167
No. of atoms 58
No. of bonds 60
Polar Surface Area 104.9
LOGP Value 5.79      (Computed with XLOGP3)
5.50      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 8
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): Q13133  Q15788  
Entrez Gene IDNCBI Entrez Gene ID: 10062  8648  
ASDInformation of known allosteric effects of PDB entries
 
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