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Related entries of code: 6es0
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5ar4RCSB PDB    PDBbind326aa, >5AR4_1|Chains... *
5ar5RCSB PDB    PDBbind326aa, >5AR5_1|Chains... at 100%
5ar7RCSB PDB    PDBbind326aa, >5AR7_1|Chains... at 100%
5ar8RCSB PDB    PDBbind326aa, >5AR8_1|Chains... at 100%
5j79RCSB PDB    PDBbind326aa, >5J79_1|Chains... at 100%
5j7bRCSB PDB    PDBbind326aa, >5J7B_1|Chains... at 100%
5w5jRCSB PDB    PDBbind310aa, >5W5J_1|Chains... at 99%
5w5oRCSB PDB    PDBbind310aa, >5W5O_1|Chains... at 99%
6fu5RCSB PDB    PDBbind317aa, >6FU5_1|Chains... at 97%
6hmxRCSB PDB    PDBbind311aa, >6HMX_1|Chains... at 100%
6rnaRCSB PDB    PDBbind311aa, >6RNA_1|Chains... at 100%
6szeRCSB PDB    PDBbind311aa, >6SZE_1|Chains... at 100%
6szjRCSB PDB    PDBbind311aa, >6SZJ_1|Chains... at 100%
6ul8RCSB PDB    PDBbind306aa, >6UL8_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 ID6es0
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameReceptor-interacting serine/threonine-protein kinase 2
Ligand NameBW8
EC.Number E.C.-.-.-.-
Resolution 2.38(Å)
Affinity (Kd/Ki/IC50)IC50=2.26uM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) Bioorg. Med. Chem. Lett. Vol. 28: pp. 577-583
Ligand Properties
Formula C22H18F2N4O5S
Molecular Weight 488.464
Exact Mass 488.097
No. of atoms 52
No. of bonds 54
Polar Surface Area 154.95
LOGP Value 3.75      (Computed with XLOGP3)
4.87      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 3
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): O43353  
Entrez Gene IDNCBI Entrez Gene ID: 8767  
ASDInformation of known allosteric effects of PDB entries
 
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