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Related entries of code: 4b5d
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4afgRCSB PDB    PDBbind230aa, >4AFG_1|Chains... *
4afhRCSB PDB    PDBbind230aa, >4AFH_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 ID4b5d
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameCAPITELLA TELETA ACHBP
Ligand NameSW4
EC.Number E.C.-.-.-.-
Resolution 2.2(Å)
Affinity (Kd/Ki/IC50)Ki=12.8nM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) J.Med.Chem. Vol. 55: pp. 8028
Ligand Properties
Formula C14H21N2O2
Molecular Weight 249.329
Exact Mass 249.160
No. of atoms 39
No. of bonds 41
Polar Surface Area 58.96
LOGP Value 0.89      (Computed with XLOGP3)
1.85      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 7
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): I6L8L2  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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