Browse entries in the PDBbind-CN Database

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Related entries of code: 5w5j
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%
5w5oRCSB PDB    PDBbind310aa, >5W5O_1|Chains... at 99%
6es0RCSB PDB    PDBbind317aa, >6ES0_1|Chains... at 97%
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 ID5w5j
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameReceptor-interacting serine/threonine-protein kinase 2
Ligand Name9WS
EC.Number E.C.-.-.-.-
Resolution 2.85(Å)
Affinity (Kd/Ki/IC50)IC50=1.5uM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2017) ACS Med Chem Lett Vol. 8: pp. 1048-1053
Ligand Properties
Formula C14H10ClN3O
Molecular Weight 271.702
Exact Mass 271.051
No. of atoms 29
No. of bonds 31
Polar Surface Area 46.4
LOGP Value 2.53      (Computed with XLOGP3)
3.31      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 4
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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