Browse entries in the PDBbind-CN Database

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Related entries of code: 3cy2
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3jpvRCSB PDB    PDBbind14aa, >3JPV_2|Chain... at 100%
4gw8RCSB PDB    PDBbind14aa, >4GW8_2|Chain... at 100%
4jx7RCSB PDB    PDBbind14aa, >4JX7_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 ID3cy2
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameProto-oncogene serine/threonine-protein kinase Pim-1, Isoform 2
Ligand NameMB9
EC.Number E.C.2.7.11.1
Resolution 2.01(Å)
Affinity (Kd/Ki/IC50)IC50=60nM
Release Year2008
Protein/NA SequenceCheck fasta file
Primary Reference (2012) J.Med.Chem.
Ligand Properties
Formula C17H18ClN4O
Molecular Weight 329.804
Exact Mass 329.117
No. of atoms 41
No. of bonds 44
Polar Surface Area 74.43
LOGP Value 1.65      (Computed with XLOGP3)
3.18      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 5
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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