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Related entries of code: 4hy4
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4hy5RCSB PDB    PDBbind115aa, >4HY5_1|Chains... at 100%
4lgeRCSB PDB    PDBbind115aa, >4LGE_1|Chains... at 100%
4lguRCSB PDB    PDBbind115aa, >4LGU_1|Chains... at 100%
4mtiRCSB PDB    PDBbind115aa, >4MTI_1|Chains... at 100%
4mu7RCSB PDB    PDBbind115aa, >4MU7_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 ID4hy4
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameBaculoviral IAP repeat-containing protein 2
Ligand Name1BG
EC.Number E.C.6.3.2
Resolution 1.25(Å)
Affinity (Kd/Ki/IC50)IC50=2.7nM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) J.Med.Chem. Vol. 56: pp. 1228-1246
Ligand Properties
Formula C30H47N5O3
Molecular Weight 525.726
Exact Mass 525.368
No. of atoms 85
No. of bonds 89
Polar Surface Area 99.56
LOGP Value 3.50      (Computed with XLOGP3)
2.37      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 10
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): Q13490  
Entrez Gene IDNCBI Entrez Gene ID: 329  
ASDInformation of known allosteric effects of PDB entries
 
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