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Related entries of code: 6mu1
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1n4kRCSB PDB    PDBbind381aa, >1N4K_1|Chain... at 100%
3t8sRCSB PDB    PDBbind585aa, >3T8S_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID6mu1
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameInsP3R1
Ligand NameJYP
EC.Number E.C.-.-.-.-
Resolution 4.1(Å)
Affinity (Kd/Ki/IC50)IC50=7.9nM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) Cell Res. Vol. 28: pp. 1158-1170
Ligand Properties
Formula C16H29N5O18P3
Molecular Weight 672.345
Exact Mass 672.072
No. of atoms 71
No. of bonds 74
Polar Surface Area 408.53
LOGP Value -8.38      (Computed with XLOGP3)
-4.54      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 15
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 23
No. of Rings: 4
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): P29994  
Entrez Gene IDNCBI Entrez Gene ID: 25262  
ASDInformation of known allosteric effects of PDB entries

 
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