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Related entries of code: 1h36
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%
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%
1h3cRCSB PDB    PDBbind631aa, >1H3C_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 ID1h36
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namesqualene-hopene cyclase
Ligand NameR88
EC.Number E.C.5.4.99.0
Resolution 2.8(Å)
Affinity (Kd/Ki/IC50)IC50=18nM
Release Year2003
Protein/NA SequenceCheck fasta file
Primary Reference J.Med.Chem.v46;pp.2083
Ligand Properties
Formula C21H23BrNO2
Molecular Weight 401.317
Exact Mass 400.091
No. of atoms 48
No. of bonds 50
Polar Surface Area 30.74
LOGP Value 4.83      (Computed with XLOGP3)
3.29      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 8
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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