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Related entries of code: 1cet
Entries with 90% protein sequence similarity cutoff in PDBbind
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No similar entries are found!
Complexes with the same small molecule ligand
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No complexes with the same small molecule ligand are found!

Entry Information
PDB ID1cet
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namelactate dehydrogenase
Ligand NameCLQ
EC.Number E.C.1.1.1.27
Resolution 2.05(Å)
Affinity (Kd/Ki/IC50)Ki=1.3mM
Release Year1999
Protein/NA SequenceCheck fasta file
Primary Reference J.Biol.Chem. v274 pp. 10213-8, 1999
Ligand Properties
Formula C18H27ClN3
Molecular Weight 320.880
Exact Mass 320.189
No. of atoms 49
No. of bonds 50
Polar Surface Area 29.36
LOGP Value 4.72      (Computed with XLOGP3)
3.47      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 3
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): Q27743  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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