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Related entries of code: 1m13
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1ilhRCSB PDB    PDBbind316aa, >1ILH_1|Chain... *
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 ID1m13
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nameorphan nuclear receptor pxr
Ligand NameHYF
EC.Number E.C.-.-.-.-
Resolution 2.15(Å)
Affinity (Kd/Ki/IC50)Kd=27nM
Release Year2003
Protein/NA SequenceCheck fasta file
Primary Reference Biochemistry v42 pp. 1430-8, 2003
Ligand Properties
Formula C35H52O4
Molecular Weight 536.785
Exact Mass 536.387
No. of atoms 91
No. of bonds 92
Polar Surface Area 71.44
LOGP Value 10.18      (Computed with XLOGP3)
8.99      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 12
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): O75469  
Entrez Gene IDNCBI Entrez Gene ID: 8856  
ASDInformation of known allosteric effects of PDB entries

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