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Related entries of code: 4k5y
Entries with 90% protein sequence similarity cutoff in PDBbind
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Complexes with the same small molecule ligand
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Entry Information
PDB ID4k5y
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCorticotropin-releasing factor receptor 1, T4-Lysozyme chimeric construct
Ligand Name1Q5
EC.Number E.C.3.2.1.17
Resolution 2.98(Å)
Affinity (Kd/Ki/IC50)Kd=6.7nM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Nature Vol. 499: pp. 438-443
Ligand Properties
Formula C21H30N2O
Molecular Weight 326.476
Exact Mass 326.236
No. of atoms 54
No. of bonds 55
Polar Surface Area 34.15
LOGP Value 6.41      (Computed with XLOGP3)
6.09      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 2
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): P34998  P00720  
Entrez Gene IDNCBI Entrez Gene ID: 104909134  1394  1258585  
ASDInformation of known allosteric effects of PDB entries

 
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