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Related entries of code: 4v24
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3vzdRCSB PDB    PDBbind361aa, >3VZD_1|Chains... at 100%
4l02RCSB PDB    PDBbind384aa, >4L02_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID4v24
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameSPHINGOSINE KINASE 1 SPHK1
Ligand NameGYR
EC.Number E.C.2.7.1.91
Resolution 1.8(Å)
Affinity (Kd/Ki/IC50)Ki=4.3nM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) Acs Med.Chem.Lett. Vol. 5: pp. 1329-1333
Ligand Properties
Formula C27H32NO4S
Molecular Weight 466.612
Exact Mass 466.205
No. of atoms 65
No. of bonds 68
Polar Surface Area 76.42
LOGP Value 4.19      (Computed with XLOGP3)
5.74      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 4
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): Q9NYA1  
Entrez Gene IDNCBI Entrez Gene ID: 8877  
ASDInformation of known allosteric effects of PDB entries

 
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