Browse entries in the PDBbind-CN Database

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Related entries of code: 6ckx
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%
6b3eRCSB PDB    PDBbind267aa, >6B3E_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 ID6ckx
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCyclin-dependent kinase 12
Ligand Name8M1
EC.Number E.C.-.-.-.-
Resolution 2.8(Å)
Affinity (Kd/Ki/IC50)IC50=0.013uM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) J. Med. Chem. Vol. 61: pp. 7710-7728
Ligand Properties
Formula C26H28N6O
Molecular Weight 440.540
Exact Mass 440.232
No. of atoms 61
No. of bonds 65
Polar Surface Area 75.94
LOGP Value 4.18      (Computed with XLOGP3)
4.88      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 7
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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