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Related entries of code: 3v2w
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 ID3v2w
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameLipid G protein-Coupled Receptor
Ligand NameML5
EC.Number E.C.3.2.1.17
Resolution 3.35(Å)
Affinity (Kd/Ki/IC50)Ki=77nM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2006) Nat. Chem. Biol., Vol.2, pp.434-441
Ligand Properties
Formula C16H29N2O4P
Molecular Weight 344.386
Exact Mass 344.186
No. of atoms 52
No. of bonds 52
Polar Surface Area 131.02
LOGP Value -0.72      (Computed with XLOGP3)
1.56      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 6
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): P21453  P00720  
Entrez Gene IDNCBI Entrez Gene ID: 1901  1258585  
ASDInformation of known allosteric effects of PDB entries
 
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