Browse entries in the PDBbind-CN Database

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Related entries of code: 1uym
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3nmqRCSB PDB    PDBbind239aa, >3NMQ_1|Chain... at 92%
5uc4RCSB PDB    PDBbind220aa, >5UC4_1|Chains... at 99%
5uchRCSB PDB    PDBbind220aa, >5UCH_1|Chains... at 99%
5uciRCSB PDB    PDBbind220aa, >5UCI_1|Chains... at 99%
5ucjRCSB PDB    PDBbind220aa, >5UCJ_1|Chains... at 99%
6n8yRCSB PDB    PDBbind241aa, >6N8Y_1|Chain... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1uy6RCSB PDB    PDBbindPU3

Entry Information
PDB ID1uym
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHUMAN HSP90-BETA
Ligand NamePU3
EC.Number E.C.-.-.-.-
Resolution 2.45(Å)
Affinity (Kd/Ki/IC50)IC50~1uM
Release Year2004
Protein/NA SequenceCheck fasta file
Primary Reference (2009) Bioorg. Med. Chem., Vol.17, pp.2225-2235
Ligand Properties
Formula C19H25N5O3
Molecular Weight 371.434
Exact Mass 371.196
No. of atoms 52
No. of bonds 54
Polar Surface Area 97.31
LOGP Value 2.76      (Computed with XLOGP3)
3.41      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 8
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): P08238  
Entrez Gene IDNCBI Entrez Gene ID: 3326  
ASDInformation of known allosteric effects of PDB entries

 
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