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Related entries of code: 3bea
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2i0vRCSB PDB    PDBbind335aa, >2I0V:A|PDBID|CHAIN|... at 91%
2i0yRCSB PDB    PDBbind335aa, >2I0Y:A|PDBID|CHAIN|... at 91%
2i1mRCSB PDB    PDBbind333aa, >2I1M:A|PDBID|CHAIN|... at 90%
3dpkRCSB PDB    PDBbind335aa, >3DPK:A|PDBID|CHAIN|... at 91%
3krjRCSB PDB    PDBbind335aa, >3KRJ:A|PDBID|CHAIN|... at 91%
3krlRCSB PDB    PDBbind335aa, >3KRL:A|PDBID|CHAIN|... at 91%
3lcdRCSB PDB    PDBbind329aa, >3LCD:A|PDBID|CHAIN|... at 95%
3lcoRCSB PDB    PDBbind324aa, >3LCO:A|PDBID|CHAIN|... at 98%
4hw7RCSB PDB    PDBbind343aa, >4HW7:A|PDBID|CHAIN|... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID3bea
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamecFMS
Ligand NameIXH
EC.Number E.C.2.7.10.1
Resolution 2.02(Å)
Affinity (Kd/Ki/IC50)IC50=0.007uM
Release Year2008
Protein/NA SequenceCheck fasta file
Primary Reference(2008) Bioorg.Med.Chem.Lett. Vol. 18: pp. 2355-2361
Ligand Properties
Formula C29H32N7O2
Molecular Weight 510.610
Exact Mass 510.262
No. of atoms 70
No. of bonds 75
Polar Surface Area 122.75
LOGP Value 4.55      (Computed with XLOGP3)
4.68      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 6
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): P07333  Q02763  
Entrez Gene IDNCBI Entrez Gene ID: 1436  7010  
ASDInformation of known allosteric effects of PDB entries

 
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