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Related entries of code: 2yk1
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1uw6RCSB PDB    PDBbindNCT
5kxiRCSB PDB    PDBbindNCT

Entry Information
PDB ID2yk1
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameFAB FRAGMENT, HEAVY CHAIN
Ligand NameNCT
EC.Number E.C.-.-.-.-
Resolution 1.85(Å)
Affinity (Kd/Ki/IC50)Kd=7.4nM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference(2012) J.Mol.Biol. Vol. 415: pp. 118
Ligand Properties
Formula C10H15N2
Molecular Weight 163.239
Exact Mass 163.124
No. of atoms 27
No. of bonds 28
Polar Surface Area 17.33
LOGP Value 1.21      (Computed with XLOGP3)
2.00      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 2
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 ACNo matched UniProt accession number (AC) found!
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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