Browse entries in the PDBbind-CN Database

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Related entries of code: 6b3e
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4nstRCSB PDB    PDBbind268aa, >4NST_2|Chains... *
5acbRCSB PDB    PDBbind259aa, >5ACB_1|Chains... at 99%
6ckxRCSB PDB    PDBbind268aa, >6CKX_2|Chains... 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 ID6b3e
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCyclin-dependent kinase 12
Ligand NameCJM
EC.Number E.C.-.-.-.-
Resolution 3.06(Å)
Affinity (Kd/Ki/IC50)IC50=0.103uM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2017) ChemMedChem Vol. : pp.231 -235
Ligand Properties
Formula C22H26F2N8O
Molecular Weight 456.492
Exact Mass 456.220
No. of atoms 59
No. of bonds 63
Polar Surface Area 107.78
LOGP Value 3.01      (Computed with XLOGP3)
3.49      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 9
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): O75909  Q9NYV4  
Entrez Gene IDNCBI Entrez Gene ID: 8812  51755  
ASDInformation of known allosteric effects of PDB entries
 
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