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: 1o5e
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1o5fRCSB PDB    PDBbind114aa, >1O5F:L|PDBID|CHAIN|... at 99%
1p57RCSB PDB    PDBbind114aa, >1P57:A|PDBID|CHAIN|... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1gj6RCSB PDB    PDBbind132
1gj7RCSB PDB    PDBbind132
1gj4RCSB PDB    PDBbind132

Entry Information
PDB ID1o5e
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Nameserine protease hepsin
Ligand Name132
EC.Number E.C.
Resolution 1.75(Å)
Affinity (Kd/Ki/IC50)Ki=1.8uM
Release Year2004
Protein/NA SequenceCheck fasta file
Primary ReferenceJ.Mol.Biol. v344 pp. 527-47, 2004
Ligand Properties
Formula C21H17ClN3O
Molecular Weight 362.832
Exact Mass 362.106
No. of atoms 43
No. of bonds 46
Polar Surface Area 87.63
LOGP Value 6.40      (Computed with XLOGP3)
4.03      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 4
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): P05981  
Entrez Gene IDNCBI Entrez Gene ID: 3249  
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