Browse entries in the PDBbind-CN Database

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Related entries of code: 4oiv
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5iawRCSB PDB    PDBbind228aa, >5IAW_1|Chains... 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 ID4oiv
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namehuman Farnesoid X Receptor alpha (FXR alpha) LBD
Ligand NameXX9
EC.Number E.C.-.-.-.-
Resolution 1.7(Å)
Affinity (Kd/Ki/IC50)Kd=8.29uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) J.Biol.Chem. Vol. 290: pp. 19888-19899
Ligand Properties
Formula C26H28Cl2N2O2
Molecular Weight 471.419
Exact Mass 470.153
No. of atoms 60
No. of bonds 62
Polar Surface Area 43.78
LOGP Value 7.13      (Computed with XLOGP3)
6.91      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 4
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): Q96RI1  
Entrez Gene IDNCBI Entrez Gene ID: 9971  
ASDInformation of known allosteric effects of PDB entries
 
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