Browse entries in the PDBbind-CN Database

Display Options: Structure:  




Goto PDB code:

3D presentation of molecule is powered by 3Dmol, which supports all modern browsers and mobile devices via WebGL.

           
Hold mouse button: left to rotate,middle to shift,right to zoom

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
 
This site has been visited times since Nov 2007.


Copyright ©2007-2024    涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃    缃戠珯澶囨鍙凤細娌狪CP澶2021015625鍙-3    娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓


Technical Support锛堟妧鏈敮鎸侊級: yingsaisi@foxmail.com