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Related entries of code: 6hrq
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4cqfRCSB PDB    PDBbind446aa, >4CQF_1|Chains... at 100%
5fueRCSB PDB    PDBbind446aa, >5FUE_1|Chains... at 100%
6gx3RCSB PDB    PDBbind447aa, >6GX3_1|Chains... *
6gxaRCSB PDB    PDBbind447aa, >6GXA_1|Chains... at 100%
6gxuRCSB PDB    PDBbind447aa, >6GXU_1|Chains... at 100%
6gxwRCSB PDB    PDBbind447aa, >6GXW_1|Chains... at 100%
6hqyRCSB PDB    PDBbind447aa, >6HQY_1|Chains... at 100%
6hshRCSB PDB    PDBbind447aa, >6HSH_1|Chains... at 100%
6hszRCSB PDB    PDBbind447aa, >6HSZ_1|Chains... at 100%
6ht8RCSB PDB    PDBbind447aa, >6HT8_1|Chains... at 100%
6htgRCSB PDB    PDBbind447aa, >6HTG_1|Chains... at 100%
6hthRCSB PDB    PDBbind447aa, >6HTH_1|Chains... at 100%
6htiRCSB PDB    PDBbind447aa, >6HTI_1|Chains... at 100%
6httRCSB PDB    PDBbind447aa, >6HTT_1|Chains... at 100%
6htzRCSB PDB    PDBbind447aa, >6HTZ_1|Chains... at 100%
6hu0RCSB PDB    PDBbind447aa, >6HU0_1|Chains... at 100%
6hu1RCSB PDB    PDBbind447aa, >6HU1_1|Chains... at 100%
6hu2RCSB PDB    PDBbind447aa, >6HU2_1|Chains... at 100%
6hu3RCSB PDB    PDBbind447aa, >6HU3_1|Chains... at 100%
6fu1RCSB PDB    PDBbind446aa, >6FU1_1|Chains... at 100%
6tldRCSB PDB    PDBbind447aa, >6TLD_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 ID6hrq
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameHDAC8
Ligand NameGM5
EC.Number E.C.-.-.-.-
Resolution 1.85(Å)
Affinity (Kd/Ki/IC50)Kd=81.7nM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) J. Med. Chem. Vol. 61: pp. 10000-10016
Ligand Properties
Formula C16H14N4O2S
Molecular Weight 326.373
Exact Mass 326.084
No. of atoms 37
No. of bonds 39
Polar Surface Area 105.34
LOGP Value 2.38      (Computed with XLOGP3)
3.20      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 7
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): A5H660  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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