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Related entries of code: 4y85
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4y83RCSB PDB    PDBbind332aa, >4Y83_1|Chains... *
5iu2RCSB PDB    PDBbind332aa, >5IU2_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 ID4y85
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCancer Osaka Thyroid (COT) kinase, (MAP3K8)
Ligand Name499
EC.Number E.C.2.7.11.25
Resolution 2.33(Å)
Affinity (Kd/Ki/IC50)IC50=13nM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) J.Biol.Chem. Vol. 290: pp. 15210-15218
Ligand Properties
Formula C17H12N6O
Molecular Weight 316.317
Exact Mass 316.107
No. of atoms 36
No. of bonds 40
Polar Surface Area 109.41
LOGP Value 2.21      (Computed with XLOGP3)
3.92      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 2
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): P41279  
Entrez Gene IDNCBI Entrez Gene ID: 1326  
ASDInformation of known allosteric effects of PDB entries
 
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