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: 3zls
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3e8nRCSB PDB    PDBbind341aa, >3E8N:A|PDBID|CHAIN|... at 97%
3eqbRCSB PDB    PDBbind333aa, >3EQB:A|PDBID|CHAIN|... at 99%
3mblRCSB PDB    PDBbind328aa, >3MBL:A|PDBID|CHAIN|... at 97%
3pp1RCSB PDB    PDBbind328aa, >3PP1:A|PDBID|CHAIN|... at 97%
3v01RCSB PDB    PDBbind341aa, >3V01:A|PDBID|CHAIN|... at 97%
3v04RCSB PDB    PDBbind341aa, >3V04:A|PDBID|CHAIN|... at 97%
3zlwRCSB PDB    PDBbind348aa, >3ZLW:A|PDBID|CHAIN|... at 98%
3zlxRCSB PDB    PDBbind348aa, >3ZLX:A|PDBID|CHAIN|... at 98%
3zlyRCSB PDB    PDBbind348aa, >3ZLY:A|PDBID|CHAIN|... at 98%
3zm4RCSB PDB    PDBbind348aa, >3ZM4:A|PDBID|CHAIN|... at 98%
4arkRCSB PDB    PDBbind341aa, >4ARK:A|PDBID|CHAIN|... at 97%
4lmnRCSB PDB    PDBbind341aa, >4LMN:A|PDBID|CHAIN|... at 97%
5eymRCSB PDB    PDBbind359aa, >5EYM:B|PDBID|CHAIN|... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID3zls
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameDUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1
Ligand Name92P
EC.Number E.C.2.7.12.2
Resolution 2.5(Å)
Affinity (Kd/Ki/IC50)IC50=39.4uM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference(2013) Bioorg.Med.Chem.Lett. Vol. 23: pp. 3620
Ligand Properties
Formula C9H8N2O2
Molecular Weight 176.172
Exact Mass 176.059
No. of atoms 21
No. of bonds 22
Polar Surface Area 54.98
LOGP Value 1.17      (Computed with XLOGP3)
1.35      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 4
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): Q02750  
Entrez Gene IDNCBI Entrez Gene ID: 5604  
ASDInformation of known allosteric effects of PDB entries

 
This site has been visited times since Nov 2007.


Address: LingLing Road 345, Shanghai, 200032, China      ICP NO: Shanghai-05005485-2
Group Leader: wangrx@mail.sioc.ac.cn      Tel: +86-21-54925128      Webmaster: liuhai@mail.sioc.ac.cn
Copyright ©2007-2019    Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences