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Related entries of code: 5iu2
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4y83RCSB PDB    PDBbind332aa, >4Y83_1|Chains... *
4y85RCSB PDB    PDBbind332aa, >4Y85_1|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 ID5iu2
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namehuman Cancer Osaka thyroid (COT) kinase, also called Tpl2 or MAP3K8
Ligand Name6DA
EC.Number E.C.2.7.11.25
Resolution 2.7(Å)
Affinity (Kd/Ki/IC50)IC50=0.016uM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) J.Med.Chem. Vol. 59: pp. 7544-7560
Ligand Properties
Formula C28H26N7OS
Molecular Weight 508.617
Exact Mass 508.192
No. of atoms 63
No. of bonds 69
Polar Surface Area 110.43
LOGP Value 4.40      (Computed with XLOGP3)
5.21      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 7
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): P41279  
Entrez Gene IDNCBI Entrez Gene ID: 1326  
ASDInformation of known allosteric effects of PDB entries

 
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