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Related entries of code: 4aw5
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2vwuRCSB PDB    PDBbind302aa, >2VWU_1|Chain... *
2vwvRCSB PDB    PDBbind302aa, >2VWV_1|Chain... at 100%
2vwwRCSB PDB    PDBbind302aa, >2VWW_1|Chain... at 100%
2vwxRCSB PDB    PDBbind302aa, >2VWX_1|Chain... at 100%
2vwyRCSB PDB    PDBbind302aa, >2VWY_1|Chain... at 100%
2vwzRCSB PDB    PDBbind302aa, >2VWZ_1|Chain... at 100%
2vx0RCSB PDB    PDBbind302aa, >2VX0_1|Chain... at 100%
2vx1RCSB PDB    PDBbind302aa, >2VX1_1|Chain... at 100%
2x9fRCSB PDB    PDBbind302aa, >2X9F_1|Chain... at 100%
2xvdRCSB PDB    PDBbind302aa, >2XVD_1|Chain... at 100%
4bb4RCSB PDB    PDBbind302aa, >4BB4_1|Chain... at 100%
6fniRCSB PDB    PDBbind297aa, >6FNI_1|Chain... at 98%
6fnjRCSB PDB    PDBbind297aa, >6FNJ_1|Chains... 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 ID4aw5
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameEphB4 kinase domain
Ligand Name30K
EC.Number E.C.2.7.10.1
Resolution 2.33(Å)
Affinity (Kd/Ki/IC50)IC50=765nM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Bioorg.Med.Chem.Lett. Vol. 22: pp. 4979-4985
Ligand Properties
Formula C30H32N5O2
Molecular Weight 494.607
Exact Mass 494.256
No. of atoms 69
No. of bonds 74
Polar Surface Area 83.48
LOGP Value 5.30      (Computed with XLOGP3)
5.74      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 6
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): P54760  
Entrez Gene IDNCBI Entrez Gene ID: 2050  
ASDInformation of known allosteric effects of PDB entries

 
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