Browse entries in the PDBbind-CN Database

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Related entries of code: 1ijr
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1bhfRCSB PDB    PDBbind108aa, >1BHF_1|Chain... at 100%
1lkkRCSB PDB    PDBbind105aa, >1LKK_1|Chain... at 100%
1lklRCSB PDB    PDBbind104aa, >1LKL_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 ID1ijr
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nameproto-oncogene tyrosine-protein kinase lck
Ligand NameCC0
EC.Number E.C.2.7.1.112
Resolution 2.2(Å)
Affinity (Kd/Ki/IC50)IC50=3.6uM
Release Year2002
Protein/NA SequenceCheck fasta file
Primary Reference Bioorg.Med.Chem.Lett. v11 pp. 2319-23, 2001
Ligand Properties
Formula C29H39N3O10P
Molecular Weight 620.608
Exact Mass 620.237
No. of atoms 82
No. of bonds 84
Polar Surface Area 231.33
LOGP Value 2.51      (Computed with XLOGP3)
3.61      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 14
No. of Nitrogen and Oxygen Atoms: 13
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): P06239  
Entrez Gene IDNCBI Entrez Gene ID: 3932  
ASDInformation of known allosteric effects of PDB entries
 
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