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Related entries of code: 5lc0
Entries with 90% protein sequence similarity cutoff in PDBbind
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No similar entries are found!
Complexes with the same small molecule ligand
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No complexes with the same small molecule ligand are found!

Entry Information
PDB ID5lc0
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameZika virus NS2B-NS3 protease
Ligand Name6T8
EC.Number E.C.-.-.-.-
Resolution 2.7(Å)
Affinity (Kd/Ki/IC50)IC50=0.20uM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) Science Vol. 353: pp. 503-505
Ligand Properties
Formula C25H37BN6O5
Molecular Weight 512.409
Exact Mass 512.292
No. of atoms 74
No. of bonds 76
Polar Surface Area 190.54
LOGP Value 1.90      (Computed with XLOGP3)
-0.57      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 15
No. of Nitrogen and Oxygen Atoms: 11
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): A0A140DLX4  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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