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: 1xp0
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1xozRCSB PDB    PDBbind364aa, >1XOZ:A|PDBID|CHAIN|... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1uhoRCSB PDB    PDBbindVDN
1xotRCSB PDB    PDBbindVDN

Entry Information
PDB ID1xp0
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namecgmp-specific 3',5'-cyclic phosphodiesterase
Ligand NameVDN
EC.Number E.C.
Resolution 1.79(Å)
Affinity (Kd/Ki/IC50)IC50=1.0nM
Release Year2004
Protein/NA SequenceCheck fasta file
Primary ReferenceSTRUCTURE v12 pp. 2233-47, 2004
Ligand Properties
Formula C23H34N6O4S
Molecular Weight 490.619
Exact Mass 490.236
No. of atoms 68
No. of bonds 71
Polar Surface Area 125.38
LOGP Value 2.64      (Computed with XLOGP3)
3.46      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 10
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): O76074  
Entrez Gene IDNCBI Entrez Gene ID: 8654  
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: wangrx@fudan.edu.cn      Tel: +86-21-54925128      Webmaster: liuhai@mail.sioc.ac.cn
Copyright ©2007-2020    Department of Medicinal Chemistry, School of Pharmacy, Fudan University, P.R. China