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Related entries of code: 3hq5
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1a28RCSB PDB    PDBbind256aa, >1A28_1|Chains... at 100%
1sqnRCSB PDB    PDBbind261aa, >1SQN_1|Chains... at 100%
1sr7RCSB PDB    PDBbind259aa, >1SR7_1|Chains... at 99%
1zucRCSB PDB    PDBbind259aa, >1ZUC_1|Chains... at 99%
2w8yRCSB PDB    PDBbind260aa, >2W8Y_1|Chains... at 98%
3g8oRCSB PDB    PDBbind263aa, >3G8O_1|Chains... *
3kbaRCSB PDB    PDBbind253aa, >3KBA_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID3hq5
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameProgesterone receptor(residues 678-933)
Ligand NameGKK
EC.Number E.C.-.-.-.-
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)IC50=16nM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2009) Bioorg.Med.Chem.Lett. Vol. 19: pp. 4777-4780
Ligand Properties
Formula C20H20ClF3N3
Molecular Weight 394.841
Exact Mass 394.130
No. of atoms 47
No. of bonds 49
Polar Surface Area 31.47
LOGP Value 5.00      (Computed with XLOGP3)
5.09      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 3
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): P06401  
Entrez Gene IDNCBI Entrez Gene ID: 5241  
ASDInformation of known allosteric effects of PDB entries
 
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