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Related entries of code: 6mr5
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5eeiRCSB PDB    PDBbind364aa, >5EEI_1|Chains... *
5eekRCSB PDB    PDBbind364aa, >5EEK_1|Chain... at 100%
5eenRCSB PDB    PDBbind364aa, >5EEN_1|Chains... at 100%
5ef7RCSB PDB    PDBbind364aa, >5EF7_1|Chains... at 100%
5ef8RCSB PDB    PDBbind364aa, >5EF8_1|Chains... at 100%
5efbRCSB PDB    PDBbind364aa, >5EFB_1|Chain... at 100%
5efhRCSB PDB    PDBbind364aa, >5EFH_1|Chains... at 100%
5efjRCSB PDB    PDBbind364aa, >5EFJ_1|Chain... at 100%
6cgpRCSB PDB    PDBbind364aa, >6CGP_1|Chain... at 100%
6cspRCSB PDB    PDBbind364aa, >6CSP_1|Chains... at 100%
6csqRCSB PDB    PDBbind364aa, >6CSQ_1|Chains... at 100%
6csrRCSB PDB    PDBbind364aa, >6CSR_1|Chains... at 100%
6cssRCSB PDB    PDBbind364aa, >6CSS_1|Chains... at 100%
6dvlRCSB PDB    PDBbind364aa, >6DVL_1|Chains... at 100%
6dvmRCSB PDB    PDBbind364aa, >6DVM_1|Chains... at 100%
6dvnRCSB PDB    PDBbind364aa, >6DVN_1|Chains... at 100%
6dvoRCSB PDB    PDBbind364aa, >6DVO_1|Chain... at 100%
6r0kRCSB PDB    PDBbind359aa, >6R0K_1|Chain... at 100%
6cw8RCSB PDB    PDBbind364aa, >6CW8_1|Chains... at 100%
5w5kRCSB PDB    PDBbind364aa, >5W5K_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 ID6mr5
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHDAC6
Ligand NameW45
EC.Number E.C.-.-.-.-
Resolution 1.85(Å)
Affinity (Kd/Ki/IC50)IC50=0.05uM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) Acs Med.Chem.Lett. Vol. 9: pp. 1301-1305
Ligand Properties
Formula C15H18Cl2N2OS
Molecular Weight 345.287
Exact Mass 344.052
No. of atoms 39
No. of bonds 40
Polar Surface Area 72.83
LOGP Value 3.90      (Computed with XLOGP3)
4.56      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 9
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): F8W4B7  
Entrez Gene IDNCBI Entrez Gene ID: 565482  
ASDInformation of known allosteric effects of PDB entries
 
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