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Related entries of code: 3byu
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1qpeRCSB PDB    PDBbind279aa, >1QPE:A|PDBID|CHAIN|... at 100%
2of2RCSB PDB    PDBbind271aa, >2OF2:A|PDBID|CHAIN|... at 100%
2of4RCSB PDB    PDBbind271aa, >2OF4:A|PDBID|CHAIN|... at 100%
2ofuRCSB PDB    PDBbind273aa, >2OFU:A|PDBID|CHAIN|... at 100%
2ofvRCSB PDB    PDBbind277aa, >2OFV:B|PDBID|CHAIN|... at 100%
2og8RCSB PDB    PDBbind265aa, >2OG8:B|PDBID|CHAIN|... at 100%
2pl0RCSB PDB    PDBbind289aa, >2PL0:A|PDBID|CHAIN|... *
2zybRCSB PDB    PDBbind285aa, >2ZYB:A|PDBID|CHAIN|... at 100%
2zm1RCSB PDB    PDBbind285aa, >2ZM1:A|PDBID|CHAIN|... at 100%
3b2wRCSB PDB    PDBbind277aa, >3B2W:A|PDBID|CHAIN|... at 100%
3bymRCSB PDB    PDBbind272aa, >3BYM:A|PDBID|CHAIN|... at 100%
3byoRCSB PDB    PDBbind271aa, >3BYO:A|PDBID|CHAIN|... at 100%
3bysRCSB PDB    PDBbind277aa, >3BYS:A|PDBID|CHAIN|... at 100%
3kmmRCSB PDB    PDBbind288aa, >3KMM:A|PDBID|CHAIN|... at 97%
3kxzRCSB PDB    PDBbind287aa, >3KXZ:A|PDBID|CHAIN|... at 99%
3mpmRCSB PDB    PDBbind267aa, >3MPM:A|PDBID|CHAIN|... 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 ID3byu
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameProto-oncogene tyrosine-protein kinase LCK
Ligand NameAM6
EC.Number E.C.2.7.10.2
Resolution 2.3(Å)
Affinity (Kd/Ki/IC50)IC50=0.8nM
Release Year2008
Protein/NA SequenceCheck fasta file
Primary Reference(2008) J.Med.Chem. Vol. 51: pp. 1681-1694
Ligand Properties
Formula C32H33F3N7O2
Molecular Weight 604.645
Exact Mass 604.265
No. of atoms 77
No. of bonds 81
Polar Surface Area 103.69
LOGP Value 5.30      (Computed with XLOGP3)
6.55      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 9
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): P06239  
Entrez Gene IDNCBI Entrez Gene ID: 3932  
ASDInformation of known allosteric effects of PDB entries

 
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