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Related entries of code: 5ohi
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3wavRCSB PDB    PDBbind831aa, >3WAV_1|Chain... at 99%
3wawRCSB PDB    PDBbind831aa, >3WAW_1|Chain... at 99%
3waxRCSB PDB    PDBbind831aa, >3WAX_1|Chain... at 99%
3wayRCSB PDB    PDBbind831aa, >3WAY_1|Chain... at 99%
4zg6RCSB PDB    PDBbind855aa, >4ZG6_1|Chains... at 92%
4zg7RCSB PDB    PDBbind806aa, >4ZG7_1|Chain... at 95%
4zg9RCSB PDB    PDBbind863aa, >4ZG9_1|Chains... at 91%
4zgaRCSB PDB    PDBbind863aa, >4ZGA_1|Chain... at 91%
5dlvRCSB PDB    PDBbind827aa, >5DLV_1|Chains... at 97%
5inhRCSB PDB    PDBbind879aa, >5INH_1|Chain... *
5lqqRCSB PDB    PDBbind827aa, >5LQQ_1|Chain... at 97%
5m0dRCSB PDB    PDBbind827aa, >5M0D_1|Chain... at 97%
5m0mRCSB PDB    PDBbind827aa, >5M0M_1|Chain... at 97%
5m0sRCSB PDB    PDBbind827aa, >5M0S_1|Chain... at 97%
5m7mRCSB PDB    PDBbind871aa, >5M7M_1|Chain... at 90%
5mhpRCSB PDB    PDBbind871aa, >5MHP_1|Chain... at 90%
5olbRCSB PDB    PDBbind844aa, >5OLB_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID5ohi
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameEctonucleotide pyrophosphatase/phosphodiesterase family member 2
Ligand Name9V8
EC.Number E.C.3.1.4.39
Resolution 1.66(Å)
Affinity (Kd/Ki/IC50)IC50=3.4nM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2017) ACS Med Chem Lett Vol. 8: pp. 1252-1257
Ligand Properties
Formula C23H19F6N5O3
Molecular Weight 527.419
Exact Mass 527.139
No. of atoms 56
No. of bonds 60
Polar Surface Area 100.21
LOGP Value 3.86      (Computed with XLOGP3)
4.57      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 5
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): Q9R1E6  
Entrez Gene IDNCBI Entrez Gene ID: 18606  
ASDInformation of known allosteric effects of PDB entries
 
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