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: 3b68
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1e3gRCSB PDB    PDBbind263aa, >1E3G_1|Chain... at 100%
1i37RCSB PDB    PDBbind260aa, >1I37_1|Chain... at 98%
1xj7RCSB PDB    PDBbind257aa, >1XJ7_1|Chain... at 100%
1z95RCSB PDB    PDBbind246aa, >1Z95_1|Chain... at 99%
2am9RCSB PDB    PDBbind266aa, >2AM9_1|Chain... at 100%
2amaRCSB PDB    PDBbind266aa, >2AMA_1|Chain... at 100%
2ax6RCSB PDB    PDBbind256aa, >2AX6_1|Chain... at 99%
2ax9RCSB PDB    PDBbind256aa, >2AX9_1|Chain... at 100%
2hvcRCSB PDB    PDBbind250aa, >2HVC_1|Chain... at 100%
2ihqRCSB PDB    PDBbind260aa, >2IHQ_1|Chain... at 98%
2nw4RCSB PDB    PDBbind260aa, >2NW4_1|Chain... at 98%
2oz7RCSB PDB    PDBbind249aa, >2OZ7_1|Chain... at 99%
2pixRCSB PDB    PDBbind251aa, >2PIX_1|Chain... at 100%
2yhdRCSB PDB    PDBbind249aa, >2YHD_1|Chain... at 100%
2yloRCSB PDB    PDBbind256aa, >2YLO_1|Chain... at 100%
2ylpRCSB PDB    PDBbind256aa, >2YLP_1|Chain... at 100%
2ylqRCSB PDB    PDBbind256aa, >2YLQ_1|Chain... at 100%
3b5rRCSB PDB    PDBbind249aa, >3B5R_1|Chain... at 100%
3b65RCSB PDB    PDBbind249aa, >3B65_1|Chain... at 100%
3b66RCSB PDB    PDBbind249aa, >3B66_1|Chain... at 100%
3b67RCSB PDB    PDBbind249aa, >3B67_1|Chain... at 100%
3g0wRCSB PDB    PDBbind260aa, >3G0W_1|Chain... at 98%
3zqtRCSB PDB    PDBbind256aa, >3ZQT_1|Chain... at 100%
4hlwRCSB PDB    PDBbind256aa, >4HLW_1|Chain... at 100%
4ql8RCSB PDB    PDBbind259aa, >4QL8_1|Chain... at 99%
5cj6RCSB PDB    PDBbind283aa, >5CJ6_1|Chain... *
5jjmRCSB PDB    PDBbind252aa, >5JJM_3|Chain... at 100%
5t8eRCSB PDB    PDBbind258aa, >5T8E_1|Chain... at 96%
5t8jRCSB PDB    PDBbind258aa, >5T8J_1|Chain... at 96%
5v8qRCSB PDB    PDBbind249aa, >5V8Q_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID3b68
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Nameandrogen receptor (AR)
Ligand NameB68
EC.Number E.C.-.-.-.-
Resolution 1.9(Å)
Affinity (Kd/Ki/IC50)Ki=4nM
Release Year2008
Protein/NA SequenceCheck fasta file
Primary Reference (2008) Bioorg.Med.Chem.Lett. Vol. 18: pp. 5567-5570
Ligand Properties
Formula C19H18F3N3O6
Molecular Weight 441.358
Exact Mass 441.115
No. of atoms 49
No. of bonds 50
Polar Surface Area 133.48
LOGP Value 2.23      (Computed with XLOGP3)
4.01      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 2
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): P10275  
Entrez Gene IDNCBI Entrez Gene ID: 367  
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