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Related entries of code: 3ipx
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3ipyRCSB PDB    PDBbind241aa, >3IPY_1|Chains... at 99%
4jljRCSB PDB    PDBbind280aa, >4JLJ_1|Chains... at 95%
4jlmRCSB PDB    PDBbind280aa, >4JLM_1|Chains... at 95%
4jlnRCSB PDB    PDBbind280aa, >4JLN_1|Chains... at 95%
4kcgRCSB PDB    PDBbind280aa, >4KCG_1|Chains... at 95%
4q18RCSB PDB    PDBbind280aa, >4Q18_1|Chains... at 95%
4q19RCSB PDB    PDBbind280aa, >4Q19_1|Chains... at 95%
4q1aRCSB PDB    PDBbind280aa, >4Q1A_1|Chains... at 95%
4q1bRCSB PDB    PDBbind280aa, >4Q1B_1|Chains... at 95%
4q1cRCSB PDB    PDBbind280aa, >4Q1C_1|Chains... at 95%
4q1dRCSB PDB    PDBbind280aa, >4Q1D_1|Chains... at 95%
4q1eRCSB PDB    PDBbind280aa, >4Q1E_1|Chains... at 95%
4q1fRCSB PDB    PDBbind280aa, >4Q1F_1|Chains... at 95%
5mqlRCSB PDB    PDBbind289aa, >5MQL_1|Chains... *
5mqtRCSB PDB    PDBbind289aa, >5MQT_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID3ipx
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameDeoxycytidine kinase
Ligand NameB86
EC.Number E.C.2.7.1.74
Resolution 2(Å)
Affinity (Kd/Ki/IC50)IC50=120nM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2009) Bioorg.Med.Chem.Lett. Vol. 19: pp. 6784-6787
Ligand Properties
Formula C9H12FN3O4
Molecular Weight 245.208
Exact Mass 245.081
No. of atoms 29
No. of bonds 30
Polar Surface Area 111.33
LOGP Value -0.93      (Computed with XLOGP3)
-1.46      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 2
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): P27707  
Entrez Gene IDNCBI Entrez Gene ID: 1633  
ASDInformation of known allosteric effects of PDB entries
 
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