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Related entries of code: 1nq7
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID1nq7
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namenuclear receptor ror-beta
Ligand NameARL
EC.Number E.C.-.-.-.-
Resolution 1.5(Å)
Affinity (Kd/Ki/IC50)Ki=0.16uM
Release Year2003
Protein/NA SequenceCheck fasta file
Primary Reference Nat.Struct.Biol. v1020 pp. 173-87, 2003
Ligand Properties
Formula C23H32O2
Molecular Weight 340.499
Exact Mass 340.240
No. of atoms 57
No. of bonds 57
Polar Surface Area 37.3
LOGP Value 9.05      (Computed with XLOGP3)
6.27      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 2
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): P45446  Q15788  
Entrez Gene IDNCBI Entrez Gene ID: 8648  
ASDInformation of known allosteric effects of PDB entries
 
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