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Related entries of code: 3u0p
Entries with 90% protein sequence similarity cutoff in PDBbind
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No similar entries are found!
Complexes with the same small molecule ligand
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No complexes with the same small molecule ligand are found!

Entry Information
PDB ID3u0p
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameAntigen-presenting glycoprotein CD1d
Ligand NameLSC
EC.Number E.C.-.-.-.-
Resolution 2.8(Å)
Affinity (Kd/Ki/IC50)Kd=2.1uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Embo J. Vol. 31: pp. 2047-2059
Ligand Properties
Formula C26H54NO7P
Molecular Weight 523.683
Exact Mass 523.364
No. of atoms 89
No. of bonds 88
Polar Surface Area 119.04
LOGP Value 5.71      (Computed with XLOGP3)
5.33      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 26
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 0
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): P15813  P61769  
Entrez Gene IDNCBI Entrez Gene ID: 912  567  
ASDInformation of known allosteric effects of PDB entries

 
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