Browse entries in the PDBbind-CN Database

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Related entries of code: 4btk
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4btmRCSB PDB    PDBbind337aa, >4BTM_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1di8RCSB PDB    PDBbindDTQ
5amnRCSB PDB    PDBbindDTQ

Entry Information
PDB ID4btk
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameTAU-TUBULIN KINASE 1
Ligand NameDTQ
EC.Number E.C.2.7.11.1
Resolution 2(Å)
Affinity (Kd/Ki/IC50)Kd=0.24uM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Chemmedchem Vol. 8: pp. 1846-1854
Ligand Properties
Formula C16H15N3O3
Molecular Weight 297.309
Exact Mass 297.111
No. of atoms 37
No. of bonds 39
Polar Surface Area 76.5
LOGP Value 3.00      (Computed with XLOGP3)
3.17      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 3
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): Q5TCY1  
Entrez Gene IDNCBI Entrez Gene ID: 84630  
ASDInformation of known allosteric effects of PDB entries

 
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