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Related entries of code: 3oz1
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4eb9RCSB PDB    PDBbind122aa, >4EB9_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 ID3oz1
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namehuman cIAP1-BIR3 domain
Ligand NameBMB
EC.Number E.C.6.3.2.-
Resolution 3(Å)
Affinity (Kd/Ki/IC50)IC50<2nM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Bioorg. Med. Chem. Lett., Vol.22, pp.2204-2208
Ligand Properties
Formula C37H49N5O3
Molecular Weight 611.817
Exact Mass 611.384
No. of atoms 94
No. of bonds 98
Polar Surface Area 111.73
LOGP Value 4.92      (Computed with XLOGP3)
2.99      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 15
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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