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Related entries of code: 1ilh
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1m13RCSB PDB    PDBbind316aa, >1M13_1|Chain... at 100%
4x1fRCSB PDB    PDBbind316aa, >4X1F_1|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 ID1ilh
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nameorphan nuclear receptor pxr
Ligand NameSRL
EC.Number E.C.-.-.-.-
Resolution 2.76(Å)
Affinity (Kd/Ki/IC50)Kd=41nM
Release Year2001
Protein/NA SequenceCheck fasta file
Primary Reference Science v292 pp. 2329-33, 2001
Ligand Properties
Formula C24H42O7P2
Molecular Weight 504.534
Exact Mass 504.241
No. of atoms 75
No. of bonds 75
Polar Surface Area 110.91
LOGP Value 5.23      (Computed with XLOGP3)
7.82      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 14
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 1
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): O75469  
Entrez Gene IDNCBI Entrez Gene ID: 8856  
ASDInformation of known allosteric effects of PDB entries

 
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