Browse entries in the PDBbind-CN Database

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Related entries of code: 6ocu
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3hhmRCSB PDB    PDBbind373aa, >3HHM_2|Chain... at 98%
5m6uRCSB PDB    PDBbind724aa, >5M6U_2|Chain... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
6ocoRCSB PDB    PDBbindM5V

Entry Information
PDB ID6ocu
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePhosphatidylinositol 3-kinase regulatory subunit alpha, human PI3K-Delta
Ligand NameM5V
EC.Number E.C.2.7.1.153
Resolution 2.77(Å)
Affinity (Kd/Ki/IC50)IC50=9nM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2020) Bioorg.Med.Chem.Lett. Vol. 30: pp. 126715-126715
Ligand Properties
Formula C19H23N7O
Molecular Weight 365.432
Exact Mass 365.196
No. of atoms 50
No. of bonds 53
Polar Surface Area 90.94
LOGP Value 0.86      (Computed with XLOGP3)
1.44      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 8
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): O00329  P23727  
Entrez Gene IDNCBI Entrez Gene ID: 5293  282307  
ASDInformation of known allosteric effects of PDB entries

 
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