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Related entries of code: 4ewh
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3eqrRCSB PDB    PDBbind276aa, >3EQR_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID4ewh
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameActivated CDC42 kinase 1
Ligand NameT77
EC.Number E.C.2.7.10.2; E.C.2.7.11.1
Resolution 2.5(Å)
Affinity (Kd/Ki/IC50)Ki=0.3nM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Bioorg.Med.Chem.Lett. Vol. 22: pp. 6212-6217
Ligand Properties
Formula C26H30N5OS2
Molecular Weight 492.679
Exact Mass 492.189
No. of atoms 64
No. of bonds 68
Polar Surface Area 117.87
LOGP Value 5.51      (Computed with XLOGP3)
4.11      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 6
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): Q07912  
Entrez Gene IDNCBI Entrez Gene ID: 10188  
ASDInformation of known allosteric effects of PDB entries

 
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