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Related entries of code: 2yog
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2yofRCSB PDB    PDBbind210aa, >2YOF_1|Chains... *
2yohRCSB PDB    PDBbind210aa, >2YOH_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 ID2yog
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameTHYMIDYLATE KINASE
Ligand Name74X
EC.Number E.C.2.7.4.9
Resolution 1.5(Å)
Affinity (Kd/Ki/IC50)Ki=31uM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2012) J.Med.Chem. Vol. 55: pp. 10948
Ligand Properties
Formula C18H18ClF3N4O4S
Molecular Weight 478.873
Exact Mass 478.069
No. of atoms 49
No. of bonds 51
Polar Surface Area 140.47
LOGP Value 2.54      (Computed with XLOGP3)
2.62      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 8
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): Q8I4S1  
Entrez Gene IDNCBI Entrez Gene ID: 811545  
ASDInformation of known allosteric effects of PDB entries

 
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