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Related entries of code: 4i54
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4dkoRCSB PDB    PDBbind353aa, >4DKO_1|Chains... at 99%
4dkpRCSB PDB    PDBbind353aa, >4DKP_1|Chains... at 99%
4dkqRCSB PDB    PDBbind353aa, >4DKQ_1|Chain... at 99%
4dkrRCSB PDB    PDBbind353aa, >4DKR_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 ID4i54
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameHIV-1 glycoprotein
Ligand Name1C1
EC.Number E.C.-.-.-.-
Resolution 2.5(Å)
Affinity (Kd/Ki/IC50)Kd=0.11uM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) ACS Med Chem Lett Vol. 4: pp. 338-343
Ligand Properties
Formula C19H20ClFN5O2
Molecular Weight 404.846
Exact Mass 404.129
No. of atoms 48
No. of bonds 50
Polar Surface Area 121.84
LOGP Value 3.92      (Computed with XLOGP3)
1.67      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 7
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): Q0ED31  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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