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Related entries of code: 2vcg
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1zz1RCSB PDB    PDBbind369aa, >1ZZ1_1|Chains... at 99%
1zz3RCSB PDB    PDBbind369aa, >1ZZ3_1|Chains... at 99%
2gh6RCSB PDB    PDBbind369aa, >2GH6_1|Chains... at 99%
5g17RCSB PDB    PDBbind369aa, >5G17_1|Chains... at 99%
5g1aRCSB PDB    PDBbind371aa, >5G1A_1|Chains... at 100%
5g1cRCSB PDB    PDBbind370aa, >5G1C_1|Chains... at 100%
5g3wRCSB PDB    PDBbind374aa, >5G3W_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 ID2vcg
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHistone Deacetylase-Like Amidohydrolase
Ligand NameS17
EC.Number E.C.3.5.1.-
Resolution 1.9(Å)
Affinity (Kd/Ki/IC50)IC50=1.69uM
Release Year2008
Protein/NA SequenceCheck fasta file
Primary Reference (2008) Bioorg.Med.Chem. Vol. 16: pp. 2011
Ligand Properties
Formula C18H25BrN2O5
Molecular Weight 429.306
Exact Mass 428.095
No. of atoms 51
No. of bonds 51
Polar Surface Area 104.73
LOGP Value 2.63      (Computed with XLOGP3)
3.28      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 15
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 1
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): Q70I53  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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