Browse entries in the PDBbind-CN Database

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Related entries of code: 6cq5
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4im0RCSB PDB    PDBbind663aa, >4IM0_1|Chain... at 98%
5w5vRCSB PDB    PDBbind660aa, >5W5V_1|Chain... at 98%
6bnyRCSB PDB    PDBbind660aa, >6BNY_1|Chain... at 98%
6bodRCSB PDB    PDBbind660aa, >6BOD_1|Chain... at 98%
6boeRCSB PDB    PDBbind660aa, >6BOE_1|Chain... at 98%
6cq0RCSB PDB    PDBbind660aa, >6CQ0_1|Chain... at 98%
6cq4RCSB PDB    PDBbind660aa, >6CQ4_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID6cq5
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameSerine/threonine-protein kinase TBK1
Ligand NameF8S
EC.Number E.C.2.7.11.1
Resolution 3.35(Å)
Affinity (Kd/Ki/IC50)IC50=57uM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) Bioorg. Med. Chem. Vol. 26: pp. 5443-5461
Ligand Properties
Formula C18H16N2O6S
Molecular Weight 388.394
Exact Mass 388.073
No. of atoms 43
No. of bonds 46
Polar Surface Area 148.94
LOGP Value 2.96      (Computed with XLOGP3)
3.58      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 8
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): Q9UHD2  
Entrez Gene IDNCBI Entrez Gene ID: 29110  
ASDInformation of known allosteric effects of PDB entries
 
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