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Related entries of code: 1e2l
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1e2kRCSB PDB    PDBbind331aa, >1E2K_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1e2kRCSB PDB    PDBbindTMC

Entry Information
PDB ID1e2l
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namethymidine kinase
Ligand NameTMC
EC.Number E.C.2.7.1.21
Resolution 2.4(Å)
Affinity (Kd/Ki/IC50)Ki=51.5uM
Release Year2000
Protein/NA SequenceCheck fasta file
Primary Reference Biochemistry v39 pp. 9597-603, 2000
Ligand Properties
Formula C12H16N2O4
Molecular Weight 252.266
Exact Mass 252.111
No. of atoms 34
No. of bonds 36
Polar Surface Area 95.32
LOGP Value -0.47      (Computed with XLOGP3)
-0.85      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 3
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): P0DTH5  
Entrez Gene IDNCBI Entrez Gene ID: 24271467  
ASDInformation of known allosteric effects of PDB entries

 
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