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Related entries of code: 4wnp
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4wnoRCSB PDB    PDBbind287aa, >4WNO_1|Chain... *
5ci7RCSB PDB    PDBbind287aa, >5CI7_1|Chain... at 100%
6qasRCSB PDB    PDBbind287aa, >6QAS_1|Chains... 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 ID4wnp
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameSerine/threonine-protein kinase ULK1
Ligand Name3RJ
EC.Number E.C.2.7.11.1
Resolution 1.88(Å)
Affinity (Kd/Ki/IC50)IC50=8nM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Acs Chem.Biol. Vol. 10: pp. 257-261
Ligand Properties
Formula C22H20N8
Molecular Weight 396.448
Exact Mass 396.181
No. of atoms 50
No. of bonds 55
Polar Surface Area 107.2
LOGP Value 4.60      (Computed with XLOGP3)
5.13      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 6
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): O75385  
Entrez Gene IDNCBI Entrez Gene ID: 8408  
ASDInformation of known allosteric effects of PDB entries

 
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