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Related entries of code: 4yhq
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4ye3RCSB PDB    PDBbind99aa, >4YE3_1|Chains... *
6prfRCSB PDB    PDBbind99aa, >6PRF_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4u8wRCSB PDB    PDBbindG10
6dj7RCSB PDB    PDBbindG10

Entry Information
PDB ID4yhq
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameMultidrug Resistant HIV-1 Protease Clinical Isolate PR20
Ligand NameG10
EC.Number E.C.3.4.23.16
Resolution 1.3(Å)
Affinity (Kd/Ki/IC50)Ki=1.7nM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) J.Med.Chem. Vol. 58: pp. 5088-5095
Ligand Properties
Formula C27H35F2N3O7S
Molecular Weight 583.645
Exact Mass 583.216
No. of atoms 75
No. of bonds 78
Polar Surface Area 148.8
LOGP Value 3.25      (Computed with XLOGP3)
4.67      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 14
No. of Nitrogen and Oxygen Atoms: 10
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): P03366  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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