Browse entries in the PDBbind-CN Database

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Related entries of code: 4jx7
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3cy2RCSB PDB    PDBbind14aa, >3CY2_2|Chain... *
3jpvRCSB PDB    PDBbind14aa, >3JPV_2|Chain... at 100%
4gw8RCSB PDB    PDBbind14aa, >4GW8_2|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 ID4jx7
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameSerine/threonine-protein kinase pim-1
Ligand Name1N6
EC.Number E.C.2.7.11.1
Resolution 2.4(Å)
Affinity (Kd/Ki/IC50)IC50=123nM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Plos One Vol. 8: pp. e70358-e70358
Ligand Properties
Formula C20H22F3N6O
Molecular Weight 419.423
Exact Mass 419.181
No. of atoms 52
No. of bonds 55
Polar Surface Area 106.91
LOGP Value 2.70      (Computed with XLOGP3)
2.55      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 4
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): P11309  
Entrez Gene IDNCBI Entrez Gene ID: 5292  
ASDInformation of known allosteric effects of PDB entries

 
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