Browse entries in the PDBbind-CN Database

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Related entries of code: 6oac
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3zimRCSB PDB    PDBbind940aa, >3ZIM_1|Chain... at 100%
4jpsRCSB PDB    PDBbind1074aa, >4JPS_1|Chain... at 99%
4l23RCSB PDB    PDBbind324aa, >4L23_2|Chain... at 93%
4tv3RCSB PDB    PDBbind946aa, >4TV3_1|Chain... at 99%
4wafRCSB PDB    PDBbind323aa, >4WAF_2|Chain... at 92%
4yknRCSB PDB    PDBbind1383aa, >4YKN_1|Chain... *
5dxhRCSB PDB    PDBbind169aa, >5DXH_2|Chains... at 97%
5dxtRCSB PDB    PDBbind962aa, >5DXT_1|Chain... at 100%
5itdRCSB PDB    PDBbind323aa, >5ITD_2|Chain... at 92%
5swgRCSB PDB    PDBbind279aa, >5SWG_2|Chain... at 100%
5sxkRCSB PDB    PDBbind1096aa, >5SXK_1|Chain... at 97%
5uk8RCSB PDB    PDBbind293aa, >5UK8_2|Chain... at 94%
5ukjRCSB PDB    PDBbind293aa, >5UKJ_2|Chain... at 94%
5ul1RCSB PDB    PDBbind293aa, >5UL1_2|Chain... at 94%
6pysRCSB PDB    PDBbind945aa, >6PYS_1|Chain... at 100%
6gviRCSB PDB    PDBbind962aa, >6GVI_1|Chain... at 100%
6gvhRCSB PDB    PDBbind962aa, >6GVH_1|Chain... at 100%
6gvfRCSB PDB    PDBbind945aa, >6GVF_1|Chain... at 100%
6gvgRCSB PDB    PDBbind962aa, >6GVG_1|Chain... at 100%
5xghRCSB PDB    PDBbind277aa, >5XGH_2|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 ID6oac
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePI3Ka catalytic subunit p110alpha
Ligand NameM1J
EC.Number E.C.-.-.-.-
Resolution 3.15(Å)
Affinity (Kd/Ki/IC50)Ki=11.1nM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) J.Med.Chem. Vol. 62: pp. 6241-6261
Ligand Properties
Formula C18H23F2N7O2
Molecular Weight 407.418
Exact Mass 407.188
No. of atoms 52
No. of bonds 55
Polar Surface Area 102.52
LOGP Value 1.44      (Computed with XLOGP3)
2.23      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 9
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): P42336  
Entrez Gene IDNCBI Entrez Gene ID: 5290  
ASDInformation of known allosteric effects of PDB entries
 
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