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Related entries of code: 6cmj
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2zv2RCSB PDB    PDBbind298aa, >2ZV2_1|Chain... at 92%
5vt1RCSB PDB    PDBbind291aa, >5VT1_1|Chain... at 93%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID6cmj
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHuman CAMKK2
Ligand NameF6J
EC.Number E.C.2.7.11.17
Resolution 2.4(Å)
Affinity (Kd/Ki/IC50)IC50=5nM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) Bioorg. Med. Chem. Lett. Vol. 28: pp. 1958-1963
Ligand Properties
Formula C24H22N2O2
Molecular Weight 370.444
Exact Mass 370.168
No. of atoms 50
No. of bonds 53
Polar Surface Area 65.98
LOGP Value 6.77      (Computed with XLOGP3)
5.79      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 4
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): Q96RR4  
Entrez Gene IDNCBI Entrez Gene ID: 10645  
ASDInformation of known allosteric effects of PDB entries

 
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