Browse entries in the PDBbind-CN Database

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Related entries of code: 4qn9
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
1e3vRCSB PDB    PDBbindDXC
3zqeRCSB PDB    PDBbindDXC

Entry Information
PDB ID4qn9
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namehuman membrane NAPE-PLD
Ligand NameDXC
EC.Number E.C.3.1.4.54
Resolution 2.65(Å)
Affinity (Kd/Ki/IC50)Kd=38.5uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Structure Vol. 23: pp. 598-604
Ligand Properties
Formula C24H40O4
Molecular Weight 392.572
Exact Mass 392.293
No. of atoms 68
No. of bonds 71
Polar Surface Area 77.76
LOGP Value 6.36      (Computed with XLOGP3)
4.48      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 4
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): Q6IQ20  
Entrez Gene IDNCBI Entrez Gene ID: 222236  
ASDInformation of known allosteric effects of PDB entries

 
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