Browse entries in the PDBbind-CN Database

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Related entries of code: 6ed6
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4l6qRCSB PDB    PDBbind402aa, >4L6Q_1|Chains... at 97%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
6e9lRCSB PDB    PDBbindJ0P
6e9wRCSB PDB    PDBbindJ0P

Entry Information
PDB ID6ed6
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameRho-associated protein kinase 2
Ligand NameJ0P
EC.Number E.C.2.7.11.1
Resolution 2.86(Å)
Affinity (Kd/Ki/IC50)IC50=0.037uM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) J. Med. Chem. Vol. 61: pp. 11074-11100
Ligand Properties
Formula C21H18N2O3
Molecular Weight 346.379
Exact Mass 346.132
No. of atoms 44
No. of bonds 47
Polar Surface Area 60.45
LOGP Value 2.97      (Computed with XLOGP3)
3.84      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 5
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): O75116  
Entrez Gene IDNCBI Entrez Gene ID: 9475  
ASDInformation of known allosteric effects of PDB entries

 
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