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Related entries of code: 4yay
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4zudRCSB PDB    PDBbind410aa, >4ZUD_1|Chain... 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 ID4yay
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameSoluble cytochrome b562,Type-1 angiotensin II receptor
Ligand NameZD7
EC.Number E.C.-.-.-.-
Resolution 2.9(Å)
Affinity (Kd/Ki/IC50)IC50=2.9nM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Cell Vol. 161: pp. 1-12
Ligand Properties
Formula C26H28N6O
Molecular Weight 440.540
Exact Mass 440.232
No. of atoms 61
No. of bonds 65
Polar Surface Area 90.82
LOGP Value 4.84      (Computed with XLOGP3)
4.39      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 7
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): P0ABE7  P30556  
Entrez Gene IDNCBI Entrez Gene ID: 185  
ASDInformation of known allosteric effects of PDB entries
 
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