Browse entries in the PDBbind-CN Database

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Related entries of code: 1unl
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1ungRCSB PDB    PDBbind208aa, >1UNG_2|Chains... *
1unhRCSB PDB    PDBbind208aa, >1UNH_2|Chains... at 100%
3o0gRCSB PDB    PDBbind149aa, >3O0G_2|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2a4lRCSB PDB    PDBbindRRC
3ddqRCSB PDB    PDBbindRRC
Entry Information
PDB ID1unl
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCDK5, cyclin-dependent kinase 5 and activator
Ligand NameRRC
EC.Number E.C.2.7.11.22
Resolution 2.2(Å)
Affinity (Kd/Ki/IC50)IC50=0.20uM
Release Year2004
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Bioorg. Med. Chem. Lett., Vol.23, pp.125-131
Ligand Properties
Formula C19H26N6O
Molecular Weight 354.449
Exact Mass 354.217
No. of atoms 52
No. of bonds 54
Polar Surface Area 87.89
LOGP Value 3.16      (Computed with XLOGP3)
3.35      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 7
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): Q15078  Q00535  
Entrez Gene IDNCBI Entrez Gene ID: 8851  1020  
ASDInformation of known allosteric effects of PDB entries
 
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