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Related entries of code: 4ee0
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2cvdRCSB PDB    PDBbind198aa, >2CVD_1|Chains... at 99%
2vcqRCSB PDB    PDBbind199aa, >2VCQ_1|Chains... at 100%
2vcwRCSB PDB    PDBbind199aa, >2VCW_1|Chains... at 100%
2vcxRCSB PDB    PDBbind199aa, >2VCX_1|Chains... at 100%
2vd0RCSB PDB    PDBbind199aa, >2VD0_1|Chains... at 100%
2vd1RCSB PDB    PDBbind199aa, >2VD1_1|Chains... at 100%
3ee2RCSB PDB    PDBbind199aa, >3EE2_1|Chains... at 99%
3vi5RCSB PDB    PDBbind198aa, >3VI5_1|Chains... at 99%
3vi7RCSB PDB    PDBbind198aa, >3VI7_1|Chains... at 99%
4ec0RCSB PDB    PDBbind200aa, >4EC0_1|Chains... *
4edyRCSB PDB    PDBbind199aa, >4EDY_1|Chains... at 99%
4edzRCSB PDB    PDBbind199aa, >4EDZ_1|Chains... at 99%
5aisRCSB PDB    PDBbind199aa, >5AIS_1|Chains... at 99%
5aivRCSB PDB    PDBbind199aa, >5AIV_1|Chains... at 98%
5aixRCSB PDB    PDBbind199aa, >5AIX_1|Chains... at 98%
5ywxRCSB PDB    PDBbind198aa, >5YWX_1|Chains... at 100%
6n4eRCSB PDB    PDBbind200aa, >6N4E_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4ee0
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHematopoietic prostaglandin D synthase
Ligand Name0O4
EC.Number E.C.2.5.1.18; E.C.5.3.99.2
Resolution 1.75(Å)
Affinity (Kd/Ki/IC50)IC50=2.34nM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Bioorg.Med.Chem.Lett. Vol. 22: pp. 3795-3799
Ligand Properties
Formula C22H24N3O2
Molecular Weight 362.445
Exact Mass 362.187
No. of atoms 51
No. of bonds 54
Polar Surface Area 55.66
LOGP Value 2.70      (Computed with XLOGP3)
3.51      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 5
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): O60760  
Entrez Gene IDNCBI Entrez Gene ID: 27306  
ASDInformation of known allosteric effects of PDB entries
 
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