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Related entries of code: 3vry
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%
3vs3RCSB PDB    PDBbind454aa, >3VS3_1|Chains... at 100%
5h09RCSB PDB    PDBbind454aa, >5H09_1|Chain... at 100%
5h0bRCSB PDB    PDBbind454aa, >5H0B_1|Chain... at 100%
5h0eRCSB PDB    PDBbind454aa, >5H0E_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
3genRCSB PDB    PDBbindB43

Entry Information
PDB ID3vry
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameTyrosine-protein kinase HCK
Ligand NameB43
EC.Number E.C.Homo sapiens
Resolution 2.48(Å)
Affinity (Kd/Ki/IC50)IC50=7.7nM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Sci Transl Med Vol. 5: pp. 181ra52-181ra52
Ligand Properties
Formula C23H22N4O
Molecular Weight 370.447
Exact Mass 370.179
No. of atoms 50
No. of bonds 54
Polar Surface Area 65.96
LOGP Value 4.59      (Computed with XLOGP3)
6.17      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 5
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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