Browse entries in the PDBbind-CN Database

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Related entries of code: 1ie9
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1db1RCSB PDB    PDBbind259aa, >1DB1_1|Chain... at 90%
5gicRCSB PDB    PDBbind250aa, >5GIC_1|Chain... at 100%
5gidRCSB PDB    PDBbind249aa, >5GID_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1db1RCSB PDB    PDBbindVDX

Entry Information
PDB ID1ie9
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameVitamin D3 receptor
Ligand NameVDX
EC.Number E.C.-.-.-.-
Resolution 1.4(Å)
Affinity (Kd/Ki/IC50)Kd=0.065nM
Release Year2001
Protein/NA SequenceCheck fasta file
Primary Reference (2001) J. Med. Chem., Vol.44, pp.281-297
Ligand Properties
Formula C27H44O3
Molecular Weight 416.636
Exact Mass 416.329
No. of atoms 74
No. of bonds 76
Polar Surface Area 60.69
LOGP Value 5.07      (Computed with XLOGP3)
5.70      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 3
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): P11473  
Entrez Gene IDNCBI Entrez Gene ID: 7421  
ASDInformation of known allosteric effects of PDB entries

 
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