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Related entries of code: 5h0e
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2c0oRCSB PDB    PDBbind454aa, >2C0O_1|Chains... *
2hk5RCSB PDB    PDBbind270aa, >2HK5_1|Chain... at 99%
3vryRCSB PDB    PDBbind454aa, >3VRY_1|Chains... at 100%
3vs3RCSB PDB    PDBbind454aa, >3VS3_1|Chains... at 100%
5h09RCSB PDB    PDBbind454aa, >5H09_1|Chain... at 100%
5h0bRCSB PDB    PDBbind454aa, >5H0B_1|Chain... at 100%
5h0gRCSB PDB    PDBbind454aa, >5H0G_1|Chain... at 100%
5h0hRCSB PDB    PDBbind454aa, >5H0H_1|Chain... 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 ID5h0e
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namehematopoietic cell kinase
Ligand NameOOS
EC.Number E.C.-.-.-.-
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)IC50=210nM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2017) Bioorg. Med. Chem. Vol. 25: pp. 4259-4264
Ligand Properties
Formula C30H37N6O2
Molecular Weight 513.654
Exact Mass 513.298
No. of atoms 75
No. of bonds 79
Polar Surface Area 125.66
LOGP Value 4.90      (Computed with XLOGP3)
5.70      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 9
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): P08631  
Entrez Gene IDNCBI Entrez Gene ID: 3055  
ASDInformation of known allosteric effects of PDB entries
 
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