Browse entries in the PDBbind-CN Database

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Related entries of code: 6hs0
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
6hrzRCSB PDB    PDBbind221aa, >6HRZ_1|Chains... at 100%
6hryRCSB PDB    PDBbind221aa, >6HRY_1|Chains... at 100%
6hrxRCSB PDB    PDBbind221aa, >6HRX_1|Chains... at 100%
6hrwRCSB PDB    PDBbind221aa, >6HRW_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID6hs0
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameEthR2
Ligand NameGNW
EC.Number E.C.-.-.-.-
Resolution 1.45(Å)
Affinity (Kd/Ki/IC50)IC50=3.16uM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) Eur J Med Chem Vol. 167: pp. 426-438
Ligand Properties
Formula C11H17ClN2
Molecular Weight 212.719
Exact Mass 212.108
No. of atoms 31
No. of bonds 32
Polar Surface Area 21.05
LOGP Value 1.73      (Computed with XLOGP3)
2.44      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 0
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 2
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): O53623  
Entrez Gene IDNCBI Entrez Gene ID: 45424040  886990  
ASDInformation of known allosteric effects of PDB entries

 
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