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Related entries of code: 5f4u
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3tgsRCSB PDB    PDBbind358aa, >3TGS_1|Chains... *
5f4lRCSB PDB    PDBbind350aa, >5F4L_1|Chains... at 99%
5f4pRCSB PDB    PDBbind350aa, >5F4P_1|Chains... at 99%
5f4rRCSB PDB    PDBbind350aa, >5F4R_1|Chains... 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 ID5f4u
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHIV-1 gp120
Ligand Name5VH
EC.Number E.C.-.-.-.-
Resolution 3.1(Å)
Affinity (Kd/Ki/IC50)Kd=0.095uM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) ACS Med Chem Lett Vol. 7: pp. 330-334
Ligand Properties
Formula C22H28ClFN8O2
Molecular Weight 490.962
Exact Mass 490.201
No. of atoms 62
No. of bonds 64
Polar Surface Area 179.26
LOGP Value 4.36      (Computed with XLOGP3)
1.48      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 10
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): C6G099  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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