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Related entries of code: 1h3c
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1gszRCSB PDB    PDBbind631aa, >1GSZ_1|Chains... *
1h35RCSB PDB    PDBbind631aa, >1H35_1|Chains... at 100%
1h36RCSB PDB    PDBbind631aa, >1H36_1|Chains... at 100%
1h37RCSB PDB    PDBbind631aa, >1H37_1|Chains... at 100%
1h39RCSB PDB    PDBbind631aa, >1H39_1|Chains... at 100%
1h3aRCSB PDB    PDBbind631aa, >1H3A_1|Chains... at 100%
1h3bRCSB PDB    PDBbind631aa, >1H3B_1|Chains... at 100%
1o6hRCSB PDB    PDBbind631aa, >1O6H_1|Chains... at 100%
1o6qRCSB PDB    PDBbind631aa, >1O6Q_1|Chains... at 100%
1o6rRCSB PDB    PDBbind631aa, >1O6R_1|Chains... at 100%
1o79RCSB PDB    PDBbind631aa, >1O79_1|Chains... at 100%
1sqcRCSB PDB    PDBbind631aa, >1SQC_1|Chain... 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 ID1h3c
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namesqualene-hopene cyclase
Ligand NameR79
EC.Number E.C.5.4.99.0
Resolution 2.9(Å)
Affinity (Kd/Ki/IC50)IC50=306nM
Release Year2003
Protein/NA SequenceCheck fasta file
Primary Reference J.Med.Chem.v46;pp.2083
Ligand Properties
Formula C23H28BrN2OS
Molecular Weight 460.450
Exact Mass 459.111
No. of atoms 56
No. of bonds 58
Polar Surface Area 54.8
LOGP Value 6.76      (Computed with XLOGP3)
5.37      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 11
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): P33247  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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