Browse entries in the PDBbind-CN Database

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Related entries of code: 4nh9
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
6d28RCSB PDB    PDBbind273aa, >6D28_1|Chain... at 99%
6d1xRCSB PDB    PDBbind273aa, >6D1X_1|Chain... at 99%
6cyiRCSB PDB    PDBbind273aa, >6CYI_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4nh8RCSB PDB    PDBbind2LC
Entry Information
PDB ID4nh9
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameEndoplasmin GRP94
Ligand Name2LC
EC.Number E.C.-.-.-.-
Resolution 2.77(Å)
Affinity (Kd/Ki/IC50)Ki=375nM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) Bioorg.Med.Chem.Lett. Vol. 24: pp. 204-208
Ligand Properties
Formula C22H26FN3O3
Molecular Weight 399.459
Exact Mass 399.196
No. of atoms 55
No. of bonds 58
Polar Surface Area 86.35
LOGP Value 3.22      (Computed with XLOGP3)
4.15      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 4
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): P14625  
Entrez Gene IDNCBI Entrez Gene ID: 7184  
ASDInformation of known allosteric effects of PDB entries
 
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