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Related entries of code: 4i4e
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2etmRCSB PDB    PDBbind281aa, >2ETM_1|Chains... at 98%
2jkkRCSB PDB    PDBbind276aa, >2JKK_1|Chain... at 98%
2jkmRCSB PDB    PDBbind276aa, >2JKM_1|Chain... at 99%
2jkoRCSB PDB    PDBbind276aa, >2JKO_1|Chain... at 98%
2jkqRCSB PDB    PDBbind276aa, >2JKQ_1|Chain... at 99%
3bz3RCSB PDB    PDBbind276aa, >3BZ3_1|Chain... at 98%
4brxRCSB PDB    PDBbind276aa, >4BRX_1|Chain... at 98%
4c7tRCSB PDB    PDBbind276aa, >4C7T_1|Chain... at 98%
4ebvRCSB PDB    PDBbind304aa, >4EBV_1|Chain... *
4ebwRCSB PDB    PDBbind304aa, >4EBW_1|Chain... at 100%
4gu6RCSB PDB    PDBbind282aa, >4GU6_1|Chains... at 97%
4gu9RCSB PDB    PDBbind279aa, >4GU9_1|Chains... at 98%
4i4fRCSB PDB    PDBbind281aa, >4I4F_1|Chain... at 100%
4k8aRCSB PDB    PDBbind279aa, >4K8A_1|Chains... at 98%
4k9yRCSB PDB    PDBbind279aa, >4K9Y_1|Chain... at 98%
4kabRCSB PDB    PDBbind279aa, >4KAB_1|Chains... at 98%
4kaoRCSB PDB    PDBbind282aa, >4KAO_1|Chains... at 97%
4q9sRCSB PDB    PDBbind281aa, >4Q9S_1|Chain... at 100%
6i8zRCSB PDB    PDBbind281aa, >6I8Z_1|Chain... at 98%
6gcxRCSB PDB    PDBbind276aa, >6GCX_1|Chain... at 98%
6gcwRCSB PDB    PDBbind276aa, >6GCW_1|Chains... at 98%
6gcrRCSB PDB    PDBbind276aa, >6GCR_1|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 ID4i4e
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameFocal adhesion kinase 1
Ligand Name1BQ
EC.Number E.C.2.7.10.2
Resolution 1.55(Å)
Affinity (Kd/Ki/IC50)IC50=0.5uM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Bioorg.Med.Chem.Lett. Vol. 23: pp. 1779-1785
Ligand Properties
Formula C24H26N4O4S
Molecular Weight 466.553
Exact Mass 466.167
No. of atoms 59
No. of bonds 63
Polar Surface Area 114.98
LOGP Value 2.17      (Computed with XLOGP3)
4.20      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 8
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): Q05397  
Entrez Gene IDNCBI Entrez Gene ID: 5747  
ASDInformation of known allosteric effects of PDB entries
 
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