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: 2yek
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2ydwRCSB PDB    PDBbind153aa, >2YDW:C|PDBID|CHAIN|... at 100%
3aqaRCSB PDB    PDBbind128aa, >3AQA:C|PDBID|CHAIN|... at 95%
4a9iRCSB PDB    PDBbind154aa, >4A9I:C|PDBID|CHAIN|... at 100%
4a9mRCSB PDB    PDBbind154aa, >4A9M:C|PDBID|CHAIN|... at 100%
4a9nRCSB PDB    PDBbind154aa, >4A9N:C|PDBID|CHAIN|... at 100%
4aknRCSB PDB    PDBbind153aa, >4AKN:C|PDBID|CHAIN|... at 100%
4algRCSB PDB    PDBbind154aa, >4ALG:A|PDBID|CHAIN|... at 100%
4uyfRCSB PDB    PDBbind154aa, >4UYF:C|PDBID|CHAIN|... at 100%
4uyhRCSB PDB    PDBbind154aa, >4UYH:C|PDBID|CHAIN|... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3p5oRCSB PDB    PDBbindEAM

Entry Information
PDB ID2yek
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameFirst Bromodomain of Human Brd2
Ligand NameEAM
EC.Number E.C.-.-.-.-
Resolution 1.98(Å)
Affinity (Kd/Ki/IC50)Kd=61.3nM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Bioorg. Med. Chem., Vol.20, pp.1887-1892
Ligand Properties
Formula C22H22ClN5O2
Molecular Weight 423.895
Exact Mass 423.146
No. of atoms 52
No. of bonds 55
Polar Surface Area 81.4
LOGP Value 2.85      (Computed with XLOGP3)
3.48      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 4
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): P25440  
Entrez Gene IDNCBI Entrez Gene ID: 6046  
ASDInformation of known allosteric effects of PDB entries

This site has been visited times since Nov 2007.

Address: 826 Zhangheng Road, Shanghai 201203, People's Republic of China      ICP NO: Shanghai-05005485-2
Group Leader:      Tel: +86-21-54925128      Webmaster:
Copyright ©2007-2020    Department of Medicinal Chemistry, School of Pharmacy, Fudan University, P.R. China