Browse entries in the PDBbind-CN Database

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Related entries of code: 6jsz
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3zkqRCSB PDB    PDBbind122aa, >3ZKQ_2|Chain... *
3zlqRCSB PDB    PDBbind122aa, >3ZLQ_2|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
6jsnRCSB PDB    PDBbindC7O

Entry Information
PDB ID6jsz
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameBACE2
Ligand NameC7O
EC.Number E.C.-.-.-.-
Resolution 1.53(Å)
Affinity (Kd/Ki/IC50)IC50=2090nM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) J.Med.Chem. Vol. 62: pp. 5080-5095
Ligand Properties
Formula C21H24F2N5O4S2
Molecular Weight 512.573
Exact Mass 512.124
No. of atoms 58
No. of bonds 61
Polar Surface Area 171.92
LOGP Value 2.19      (Computed with XLOGP3)
4.15      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 4
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): Q9Y5Z0  
Entrez Gene IDNCBI Entrez Gene ID: 25825  
ASDInformation of known allosteric effects of PDB entries

 
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