Browse entries in the PDBbind-CN Database

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Related entries of code: 6j81
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
6j0oRCSB PDB    PDBbind237aa, >6J0O_1|Chain... at 99%
6if0RCSB PDB    PDBbind237aa, >6IF0_1|Chain... at 99%
6iezRCSB PDB    PDBbind237aa, >6IEZ_1|Chain... at 99%
5zymRCSB PDB    PDBbind237aa, >5ZYM_1|Chain... at 99%
5zylRCSB PDB    PDBbind237aa, >5ZYL_1|Chain... at 99%
5zykRCSB PDB    PDBbind237aa, >5ZYK_1|Chain... at 99%
5zyiRCSB PDB    PDBbind237aa, >5ZYI_1|Chain... at 99%
5zyhRCSB PDB    PDBbind237aa, >5ZYH_1|Chain... at 99%
5zygRCSB PDB    PDBbind237aa, >5ZYG_1|Chain... at 99%
5zyjRCSB PDB    PDBbind237aa, >5ZYJ_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID6j81
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameLIPID-TRANSFER PROTEIN CERT
Ligand NameB8X
EC.Number E.C.-.-.-.-
Resolution 1.8(Å)
Affinity (Kd/Ki/IC50)Kd=0.51uM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) Commun Chem Vol. : pp. -
Ligand Properties
Formula C25H27NO3S
Molecular Weight 421.552
Exact Mass 421.171
No. of atoms 57
No. of bonds 60
Polar Surface Area 75.64
LOGP Value 4.34      (Computed with XLOGP3)
5.82      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 4
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): Q9Y5P4  
Entrez Gene IDNCBI Entrez Gene ID: 10087  
ASDInformation of known allosteric effects of PDB entries
 
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