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Related entries of code: 5f4l
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3tgsRCSB PDB    PDBbind358aa, >3TGS_1|Chains... *
5f4pRCSB PDB    PDBbind350aa, >5F4P_1|Chains... at 99%
5f4rRCSB PDB    PDBbind350aa, >5F4R_1|Chains... at 99%
5f4uRCSB PDB    PDBbind350aa, >5F4U_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 ID5f4l
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHIV-1 gp120
Ligand Name5VE
EC.Number E.C.-.-.-.-
Resolution 2.7(Å)
Affinity (Kd/Ki/IC50)Kd=0.024uM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) Acs Med.Chem.Lett. Vol. 7: pp. 330-334
Ligand Properties
Formula C21H26ClFN6O2
Molecular Weight 448.922
Exact Mass 448.179
No. of atoms 57
No. of bonds 59
Polar Surface Area 138.45
LOGP Value 3.29      (Computed with XLOGP3)
0.36      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 8
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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