Browse entries in the PDBbind-CN Database

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Related entries of code: 5uuu
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5uvcRCSB PDB    PDBbind547aa, >5UVC_1|Chain... at 93%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3pvuRCSB PDB    PDBbindQRW

Entry Information
PDB ID5uuu
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameG-protein-Coupled Receptor Kinase 2
Ligand NameQRW
EC.Number E.C.-.-.-.-
Resolution 2.7(Å)
Affinity (Kd/Ki/IC50)IC50=18nM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2017) J. Med. Chem. Vol. 60: pp. 6942-6990
Ligand Properties
Formula C24H21F3N6O
Molecular Weight 466.458
Exact Mass 466.173
No. of atoms 55
No. of bonds 58
Polar Surface Area 84.73
LOGP Value 3.19      (Computed with XLOGP3)
4.90      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 7
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): P25098  
Entrez Gene IDNCBI Entrez Gene ID: 156  
ASDInformation of known allosteric effects of PDB entries

 
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